8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
type: datablock
datablock name: KKF
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has pdbx chem comp audit category: pdbx chem comp auditCategory
has pdbx chem comp descriptor category: pdbx chem comp descriptorCategory
has pdbx chem comp identifier category: pdbx chem comp identifierCategory

KKF
type: chem comp
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
chem comp.id: KKF
chem comp.formula: C23 H21 Cl3 N2 O3
chem comp.formula weight: 479.783
chem comp.name: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
chem comp.pdbx ambiguous flag: N
chem comp.pdbx formal charge: 0
chem comp.pdbx ideal coordinates details: Corina
chem comp.pdbx ideal coordinates missing flag: N
chem comp.pdbx initial date: 2022-02-04
chem comp.pdbx model coordinates db code: 7TUY
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2022-04-08
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: KKF
chem comp.type: non-polymer

C10,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C1
chem comp atom.charge: 0
chem comp atom.model cartn x: 124.787
chem comp atom.model cartn y: 112.585
chem comp atom.model cartn z: 157.231
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.732
chem comp atom.pdbx model cartn y ideal: -1.035
chem comp atom.pdbx model cartn z ideal: -0.394
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C12,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C12
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C2
chem comp atom.charge: 0
chem comp atom.model cartn x: 125.751
chem comp atom.model cartn y: 115.033
chem comp atom.model cartn z: 157.199
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C12
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.694
chem comp atom.pdbx model cartn y ideal: -0.697
chem comp atom.pdbx model cartn z ideal: -0.942
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C13,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C13
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C3
chem comp atom.charge: 0
chem comp atom.model cartn x: 125.122
chem comp atom.model cartn y: 111.536
chem comp atom.model cartn z: 156.144
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C13
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.771
chem comp atom.pdbx model cartn y ideal: -1.012
chem comp atom.pdbx model cartn z ideal: 0.733
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C14,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C14
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C4
chem comp atom.charge: 0
chem comp atom.model cartn x: 123.453
chem comp atom.model cartn y: 112.759
chem comp atom.model cartn z: 154.821
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C14
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.457
chem comp atom.pdbx model cartn y ideal: 0.815
chem comp atom.pdbx model cartn z ideal: 1.887
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C15,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C15
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C5
chem comp atom.charge: 0
chem comp atom.model cartn x: 123.874
chem comp atom.model cartn y: 115.356
chem comp atom.model cartn z: 158.417
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C15
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.223
chem comp atom.pdbx model cartn y ideal: -2.145
chem comp atom.pdbx model cartn z ideal: 0.749
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C16,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C16
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C6
chem comp atom.charge: 0
chem comp atom.model cartn x: 126.005
chem comp atom.model cartn y: 115.679
chem comp atom.model cartn z: 159.762
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C16
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.864
chem comp atom.pdbx model cartn y ideal: -2.139
chem comp atom.pdbx model cartn z ideal: -1.132
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C17,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C17
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C7
chem comp atom.charge: 0
chem comp atom.model cartn x: 124.058
chem comp atom.model cartn y: 110.405
chem comp atom.model cartn z: 154.030
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C17
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.864
chem comp atom.pdbx model cartn y ideal: 1.039
chem comp atom.pdbx model cartn z ideal: 1.503
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C18,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C18
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C8
chem comp atom.charge: 0
chem comp atom.model cartn x: 126.939
chem comp atom.model cartn y: 114.531
chem comp atom.model cartn z: 160.165
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C18
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.019
chem comp atom.pdbx model cartn y ideal: -1.263
chem comp atom.pdbx model cartn z ideal: -0.721
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C19,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C19
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C9
chem comp atom.charge: 0
chem comp atom.model cartn x: 123.141
chem comp atom.model cartn y: 110.322
chem comp atom.model cartn z: 152.807
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C19
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.111
chem comp atom.pdbx model cartn y ideal: 0.573
chem comp atom.pdbx model cartn z ideal: 0.893
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C20,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C20
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: 128.244
chem comp atom.model cartn y: 114.448
chem comp atom.model cartn z: 159.676
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C20
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.302
chem comp atom.pdbx model cartn y ideal: -0.113
chem comp atom.pdbx model cartn z ideal: -1.434
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C22,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C22
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C11
chem comp atom.charge: 0
chem comp atom.model cartn x: 122.687
chem comp atom.model cartn y: 109.273
chem comp atom.model cartn z: 152.085
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C22
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.210
chem comp atom.pdbx model cartn y ideal: 1.352
chem comp atom.pdbx model cartn z ideal: 0.928
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C23,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C23
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C12
chem comp atom.charge: 0
chem comp atom.model cartn x: 129.099
chem comp atom.model cartn y: 113.408
chem comp atom.model cartn z: 160.022
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C23
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.362
chem comp atom.pdbx model cartn y ideal: 0.691
chem comp atom.pdbx model cartn z ideal: -1.057
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C09,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C09
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C13
chem comp atom.charge: 0
chem comp atom.model cartn x: 124.610
chem comp atom.model cartn y: 114.035
chem comp atom.model cartn z: 156.770
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C09
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.628
chem comp atom.pdbx model cartn y ideal: -0.628
chem comp atom.pdbx model cartn z ideal: 0.163
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C11,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C11
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C14
chem comp atom.charge: 0
chem comp atom.model cartn x: 124.203
chem comp atom.model cartn y: 114.013
chem comp atom.model cartn z: 155.301
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: C11
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.572
chem comp atom.pdbx model cartn y ideal: 0.779
chem comp atom.pdbx model cartn z ideal: 0.752
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C21,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C21
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C15
chem comp atom.charge: 0
chem comp atom.model cartn x: 126.552
chem comp atom.model cartn y: 113.487
chem comp atom.model cartn z: 161.018
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C21
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.793
chem comp atom.pdbx model cartn y ideal: -1.608
chem comp atom.pdbx model cartn z ideal: 0.372
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C24,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C24
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C16
chem comp atom.charge: 0
chem comp atom.model cartn x: 127.406
chem comp atom.model cartn y: 112.438
chem comp atom.model cartn z: 161.375
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C24
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.853
chem comp atom.pdbx model cartn y ideal: -0.805
chem comp atom.pdbx model cartn z ideal: 0.750
chem comp atom.pdbx ordinal: 16
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C25,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C25
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C17
chem comp atom.charge: 0
chem comp atom.model cartn x: 128.699
chem comp atom.model cartn y: 112.391
chem comp atom.model cartn z: 160.875
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C25
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.140
chem comp atom.pdbx model cartn y ideal: 0.343
chem comp atom.pdbx model cartn z ideal: 0.035
chem comp atom.pdbx ordinal: 17
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C26,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C26
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C18
chem comp atom.charge: 0
chem comp atom.model cartn x: 121.766
chem comp atom.model cartn y: 109.231
chem comp atom.model cartn z: 150.871
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C26
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.464
chem comp atom.pdbx model cartn y ideal: 0.883
chem comp atom.pdbx model cartn z ideal: 0.315
chem comp atom.pdbx ordinal: 18
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C27,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C27
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C19
chem comp atom.charge: 0
chem comp atom.model cartn x: 120.362
chem comp atom.model cartn y: 109.272
chem comp atom.model cartn z: 150.971
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C27
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.606
chem comp atom.pdbx model cartn y ideal: 1.689
chem comp atom.pdbx model cartn z ideal: 0.349
chem comp atom.pdbx ordinal: 19
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C28,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C28
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C20
chem comp atom.charge: 0
chem comp atom.model cartn x: 122.214
chem comp atom.model cartn y: 109.161
chem comp atom.model cartn z: 149.538
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C28
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -6.516
chem comp atom.pdbx model cartn y ideal: -0.368
chem comp atom.pdbx model cartn z ideal: -0.308
chem comp atom.pdbx ordinal: 20
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C29,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C29
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C21
chem comp atom.charge: 0
chem comp atom.model cartn x: 119.491
chem comp atom.model cartn y: 109.246
chem comp atom.model cartn z: 149.880
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C29
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.777
chem comp atom.pdbx model cartn y ideal: 1.244
chem comp atom.pdbx model cartn z ideal: -0.227
chem comp atom.pdbx ordinal: 21
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C30,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C30
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C22
chem comp atom.charge: 0
chem comp atom.model cartn x: 121.375
chem comp atom.model cartn y: 109.133
chem comp atom.model cartn z: 148.421
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C30
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.692
chem comp atom.pdbx model cartn y ideal: -0.798
chem comp atom.pdbx model cartn z ideal: -0.885
chem comp atom.pdbx ordinal: 22
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C31,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: C31
chem comp atom.comp id: KKF
chem comp atom.alt atom id: C23
chem comp atom.charge: 0
chem comp atom.model cartn x: 120.002
chem comp atom.model cartn y: 109.176
chem comp atom.model cartn z: 148.595
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C31
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -8.823
chem comp atom.pdbx model cartn y ideal: 0.002
chem comp atom.pdbx model cartn z ideal: -0.838
chem comp atom.pdbx ordinal: 23
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N07,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: N07
chem comp atom.comp id: KKF
chem comp atom.alt atom id: N1
chem comp atom.charge: 0
chem comp atom.model cartn x: 124.210
chem comp atom.model cartn y: 111.495
chem comp atom.model cartn z: 154.936
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N07
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.739
chem comp atom.pdbx model cartn y ideal: 0.307
chem comp atom.pdbx model cartn z ideal: 1.378
chem comp atom.pdbx ordinal: 24
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

N08,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: N08
chem comp atom.comp id: KKF
chem comp atom.alt atom id: N2
chem comp atom.charge: 0
chem comp atom.model cartn x: 125.226
chem comp atom.model cartn y: 115.404
chem comp atom.model cartn z: 158.526
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: N08
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.648
chem comp atom.pdbx model cartn y ideal: -1.699
chem comp atom.pdbx model cartn z ideal: -0.442
chem comp atom.pdbx ordinal: 25
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

O04,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: O04
chem comp atom.comp id: KKF
chem comp atom.alt atom id: O1
chem comp atom.charge: 0
chem comp atom.model cartn x: 123.458
chem comp atom.model cartn y: 114.499
chem comp atom.model cartn z: 157.475
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O04
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.079
chem comp atom.pdbx model cartn y ideal: -1.582
chem comp atom.pdbx model cartn z ideal: 1.160
chem comp atom.pdbx ordinal: 26
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O05,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: O05
chem comp atom.comp id: KKF
chem comp atom.alt atom id: O2
chem comp atom.charge: 0
chem comp atom.model cartn x: 122.971
chem comp atom.model cartn y: 115.978
chem comp atom.model cartn z: 159.031
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O05
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.820
chem comp atom.pdbx model cartn y ideal: -2.983
chem comp atom.pdbx model cartn z ideal: 1.396
chem comp atom.pdbx ordinal: 27
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

O06,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: O06
chem comp atom.comp id: KKF
chem comp atom.alt atom id: O3
chem comp atom.charge: 0
chem comp atom.model cartn x: 124.771
chem comp atom.model cartn y: 109.431
chem comp atom.model cartn z: 154.293
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O06
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.843
chem comp atom.pdbx model cartn y ideal: 2.087
chem comp atom.pdbx model cartn z ideal: 2.121
chem comp atom.pdbx ordinal: 28
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

CL01,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: CL01
chem comp atom.comp id: KKF
chem comp atom.alt atom id: CL1
chem comp atom.charge: 0
chem comp atom.model cartn x: 130.671
chem comp atom.model cartn y: 113.359
chem comp atom.model cartn z: 159.414
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CL01
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 6.718
chem comp atom.pdbx model cartn y ideal: 2.135
chem comp atom.pdbx model cartn z ideal: -1.952
chem comp atom.pdbx ordinal: 29
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: CL

CL02,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: CL02
chem comp atom.comp id: KKF
chem comp atom.alt atom id: CL2
chem comp atom.charge: 0
chem comp atom.model cartn x: 129.760
chem comp atom.model cartn y: 111.136
chem comp atom.model cartn z: 161.286
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CL02
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 8.472
chem comp atom.pdbx model cartn y ideal: 1.351
chem comp atom.pdbx model cartn z ideal: 0.509
chem comp atom.pdbx ordinal: 30
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: CL

CL03,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: CL03
chem comp atom.comp id: KKF
chem comp atom.alt atom id: CL3
chem comp atom.charge: 0
chem comp atom.model cartn x: 118.947
chem comp atom.model cartn y: 109.141
chem comp atom.model cartn z: 147.243
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: CL03
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -10.300
chem comp atom.pdbx model cartn y ideal: -0.548
chem comp atom.pdbx model cartn z ideal: -1.567
chem comp atom.pdbx ordinal: 31
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: CL

H1,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H1
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H1
chem comp atom.charge: 0
chem comp atom.model cartn x: 123.849
chem comp atom.model cartn y: 112.274
chem comp atom.model cartn z: 157.714
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H1
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.669
chem comp atom.pdbx model cartn y ideal: -2.040
chem comp atom.pdbx model cartn z ideal: -0.809
chem comp atom.pdbx ordinal: 32
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H2,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H2
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H2
chem comp atom.charge: 0
chem comp atom.model cartn x: 125.602
chem comp atom.model cartn y: 112.569
chem comp atom.model cartn z: 157.969
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H2
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.029
chem comp atom.pdbx model cartn y ideal: -0.336
chem comp atom.pdbx model cartn z ideal: -1.176
chem comp atom.pdbx ordinal: 33
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H3,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H3
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H3
chem comp atom.charge: 0
chem comp atom.model cartn x: 126.732
chem comp atom.model cartn y: 114.539
chem comp atom.model cartn z: 157.264
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H3
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.251
chem comp atom.pdbx model cartn y ideal: -1.025
chem comp atom.pdbx model cartn z ideal: -1.883
chem comp atom.pdbx ordinal: 34
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H4,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H4
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H4
chem comp atom.charge: 0
chem comp atom.model cartn x: 125.821
chem comp atom.model cartn y: 115.898
chem comp atom.model cartn z: 156.524
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H4
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.184
chem comp atom.pdbx model cartn y ideal: 0.269
chem comp atom.pdbx model cartn z ideal: -1.067
chem comp atom.pdbx ordinal: 35
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H5,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H5
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H5
chem comp atom.charge: 0
chem comp atom.model cartn x: 125.093
chem comp atom.model cartn y: 110.544
chem comp atom.model cartn z: 156.618
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H5
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.763
chem comp atom.pdbx model cartn y ideal: -1.192
chem comp atom.pdbx model cartn z ideal: 0.319
chem comp atom.pdbx ordinal: 36
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H6,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H6
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H6
chem comp atom.charge: 0
chem comp atom.model cartn x: 126.141
chem comp atom.model cartn y: 111.741
chem comp atom.model cartn z: 155.785
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H6
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.535
chem comp atom.pdbx model cartn y ideal: -1.785
chem comp atom.pdbx model cartn z ideal: 1.464
chem comp atom.pdbx ordinal: 37
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H7,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H7
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H7
chem comp atom.charge: 0
chem comp atom.model cartn x: 123.189
chem comp atom.model cartn y: 112.903
chem comp atom.model cartn z: 153.763
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H7
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.115
chem comp atom.pdbx model cartn y ideal: 0.187
chem comp atom.pdbx model cartn z ideal: 2.710
chem comp atom.pdbx ordinal: 38
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H8,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H8
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H8
chem comp atom.charge: 0
chem comp atom.model cartn x: 122.534
chem comp atom.model cartn y: 112.662
chem comp atom.model cartn z: 155.418
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H8
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.581
chem comp atom.pdbx model cartn y ideal: 1.840
chem comp atom.pdbx model cartn z ideal: 2.234
chem comp atom.pdbx ordinal: 39
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H9,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H9
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H9
chem comp atom.charge: 0
chem comp atom.model cartn x: 126.613
chem comp atom.model cartn y: 116.581
chem comp atom.model cartn z: 159.597
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H9
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.717
chem comp atom.pdbx model cartn y ideal: -2.065
chem comp atom.pdbx model cartn z ideal: -2.209
chem comp atom.pdbx ordinal: 40
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H10,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H10
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H10
chem comp atom.charge: 0
chem comp atom.model cartn x: 125.299
chem comp atom.model cartn y: 115.859
chem comp atom.model cartn z: 160.586
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H10
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.079
chem comp atom.pdbx model cartn y ideal: -3.174
chem comp atom.pdbx model cartn z ideal: -0.864
chem comp atom.pdbx ordinal: 41
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H11,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H11
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H11
chem comp atom.charge: 0
chem comp atom.model cartn x: 122.791
chem comp atom.model cartn y: 111.281
chem comp atom.model cartn z: 152.455
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H11
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -4.150
chem comp atom.pdbx model cartn y ideal: -0.396
chem comp atom.pdbx model cartn z ideal: 0.417
chem comp atom.pdbx ordinal: 42
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H12,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H12
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H12
chem comp atom.charge: 0
chem comp atom.model cartn x: 128.601
chem comp atom.model cartn y: 115.217
chem comp atom.model cartn z: 159.007
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H12
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 4.695
chem comp atom.pdbx model cartn y ideal: 0.157
chem comp atom.pdbx model cartn z ideal: -2.285
chem comp atom.pdbx ordinal: 43
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H13,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H13
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H13
chem comp atom.charge: 0
chem comp atom.model cartn x: 123.033
chem comp atom.model cartn y: 108.308
chem comp atom.model cartn z: 152.423
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H13
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.171
chem comp atom.pdbx model cartn y ideal: 2.320
chem comp atom.pdbx model cartn z ideal: 1.404
chem comp atom.pdbx ordinal: 44
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H14,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H14
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H14
chem comp atom.charge: 0
chem comp atom.model cartn x: 125.118
chem comp atom.model cartn y: 114.108
chem comp atom.model cartn z: 154.698
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H14
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.282
chem comp atom.pdbx model cartn y ideal: 1.487
chem comp atom.pdbx model cartn z ideal: -0.024
chem comp atom.pdbx ordinal: 45
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H15,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H15
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H15
chem comp atom.charge: 0
chem comp atom.model cartn x: 123.553
chem comp atom.model cartn y: 114.882
chem comp atom.model cartn z: 155.120
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H15
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.554
chem comp atom.pdbx model cartn y ideal: 1.048
chem comp atom.pdbx model cartn z ideal: 1.142
chem comp atom.pdbx ordinal: 46
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H16,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H16
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H16
chem comp atom.charge: 0
chem comp atom.model cartn x: 125.549
chem comp atom.model cartn y: 113.493
chem comp atom.model cartn z: 161.418
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H16
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 5.569
chem comp atom.pdbx model cartn y ideal: -2.504
chem comp atom.pdbx model cartn z ideal: 0.931
chem comp atom.pdbx ordinal: 47
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H17,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H17
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H17
chem comp atom.charge: 0
chem comp atom.model cartn x: 127.058
chem comp atom.model cartn y: 111.663
chem comp atom.model cartn z: 162.042
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H17
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 7.457
chem comp atom.pdbx model cartn y ideal: -1.075
chem comp atom.pdbx model cartn z ideal: 1.604
chem comp atom.pdbx ordinal: 48
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H18,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H18
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H18
chem comp atom.charge: 0
chem comp atom.model cartn x: 119.929
chem comp atom.model cartn y: 109.327
chem comp atom.model cartn z: 151.959
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H18
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.572
chem comp atom.pdbx model cartn y ideal: 2.658
chem comp atom.pdbx model cartn z ideal: 0.825
chem comp atom.pdbx ordinal: 49
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H19,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H19
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H19
chem comp atom.charge: 0
chem comp atom.model cartn x: 123.280
chem comp atom.model cartn y: 109.127
chem comp atom.model cartn z: 149.367
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H19
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -5.638
chem comp atom.pdbx model cartn y ideal: -0.995
chem comp atom.pdbx model cartn z ideal: -0.338
chem comp atom.pdbx ordinal: 50
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H20,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H20
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H20
chem comp atom.charge: 0
chem comp atom.model cartn x: 118.423
chem comp atom.model cartn y: 109.280
chem comp atom.model cartn z: 150.038
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H20
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -9.660
chem comp atom.pdbx model cartn y ideal: 1.865
chem comp atom.pdbx model cartn z ideal: -0.202
chem comp atom.pdbx ordinal: 51
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H21,KKF
type: chem comp atom
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
chem comp atom.atom id: H21
chem comp atom.comp id: KKF
chem comp atom.alt atom id: H21
chem comp atom.charge: 0
chem comp atom.model cartn x: 121.795
chem comp atom.model cartn y: 109.078
chem comp atom.model cartn z: 147.428
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H21
chem comp atom.pdbx component comp id: KKF
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -7.735
chem comp atom.pdbx model cartn y ideal: -1.765
chem comp atom.pdbx model cartn z ideal: -1.363
chem comp atom.pdbx ordinal: 52
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

CL03,C31,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: CL03
chem comp bond.atom id 2: C31
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C30,C31,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: C31
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 2
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C30,C28,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: C28
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 3
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C31,C29,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C31
chem comp bond.atom id 2: C29
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,C26,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C26
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C29,C27,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: C27
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 6
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C26,C27,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C27
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 7
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C26,C22,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C22
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 8
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,C19,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C19
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: E
chem comp bond.value order: doub

C19,C17,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C17
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 10
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C17,O06,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: O06
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C17,N07,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: N07
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,N07,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: N07
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,C11,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C11
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 14
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

N07,C13,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: N07
chem comp bond.atom id 2: C13
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,C09,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: C09
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 16
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,C10,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C10
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 17
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C09,C12,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C09
chem comp bond.atom id 2: C12
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 18
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C09,C10,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C09
chem comp bond.atom id 2: C10
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 19
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C09,O04,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C09
chem comp bond.atom id 2: O04
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 20
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,N08,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: N08
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 21
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O04,C15,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: O04
chem comp bond.atom id 2: C15
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 22
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,N08,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: N08
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 23
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C15,O05,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: O05
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 24
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

N08,C16,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: N08
chem comp bond.atom id 2: C16
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 25
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

CL01,C23,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: CL01
chem comp bond.atom id 2: C23
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 26
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,C23,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C23
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 27
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C20,C18,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C18
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 28
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,C18,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: C18
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 29
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C23,C25,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C25
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 30
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C18,C21,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C21
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 31
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C25,CL02,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: CL02
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 32
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C25,C24,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C24
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 33
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C21,C24,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: C24
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 34
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,H1,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H1
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 35
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C10,H2,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H2
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 36
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,H3,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H3
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 37
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C12,H4,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H4
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 38
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,H5,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H5
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 39
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C13,H6,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: H6
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 40
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H7,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H7
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 41
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C14,H8,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H8
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 42
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,H9,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H9
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 43
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C16,H10,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: H10
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 44
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C19,H11,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H11
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 45
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C20,H12,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H12
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 46
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C22,H13,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: H13
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 47
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,H14,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H14
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 48
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C11,H15,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H15
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 49
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C21,H16,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H16
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 50
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C24,H17,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H17
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 51
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C27,H18,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H18
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 52
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C28,H19,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H19
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 53
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C29,H20,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: H20
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 54
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C30,H21,KKF
type: chem comp bond
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/KKF/chem_comp_atom/,
chem comp bond.atom id 1: C30
chem comp bond.atom id 2: H21
chem comp bond.comp id: KKF
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 55
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

Create component,KKF,2022-02-04
type: pdbx chem comp audit
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: KKF
pdbx chem comp audit.date: 2022-02-04
pdbx chem comp audit.processing site: RCSB

Initial release,KKF,2022-04-13
type: pdbx chem comp audit
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
pdbx chem comp audit.action type: Initial release
pdbx chem comp audit.comp id: KKF
pdbx chem comp audit.date: 2022-04-13
pdbx chem comp audit.processing site: RCSB

KKF,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KKF
pdbx chem comp descriptor.program: ACDLabs
pdbx chem comp descriptor.program version: 12.01
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: Clc1ccc(cc1)/C=C/C(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)c(Cl)c1)C(=O)O2

KKF,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KKF
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChI
pdbx chem comp descriptor.descriptor: InChI=1S/C23H21Cl3N2O3/c24-18-5-1-16(2-6-18)4-8-21(29)27-11-9-23(10-12-27)15-28(22(30)31-23)14-17-3-7-19(25)20(26)13-17/h1-8,13H,9-12,14-15H2/b8-4+

KKF,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KKF
pdbx chem comp descriptor.program: InChI
pdbx chem comp descriptor.program version: 1.03
pdbx chem comp descriptor.type: InChIKey
pdbx chem comp descriptor.descriptor: RDDLWMWIRXGSJM-XBXARRHUSA-N

KKF,CACTVS,3.385,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KKF
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: Clc1ccc(cc1)\C=C\C(=O)N2CCC3(CC2)CN(Cc4ccc(Cl)c(Cl)c4)C(=O)O3

KKF,CACTVS,3.385,SMILES
type: pdbx chem comp descriptor
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KKF
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.385
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: Clc1ccc(cc1)C=CC(=O)N2CCC3(CC2)CN(Cc4ccc(Cl)c(Cl)c4)C(=O)O3

KKF,OpenEye OEToolkits,2.0.7,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KKF
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.7
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: c1cc(ccc1/C=C/C(=O)N2CCC3(CC2)CN(C(=O)O3)Cc4ccc(c(c4)Cl)Cl)Cl

KKF,OpenEye OEToolkits,2.0.7,SMILES
type: pdbx chem comp descriptor
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: KKF
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 2.0.7
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1cc(ccc1C=CC(=O)N2CCC3(CC2)CN(C(=O)O3)Cc4ccc(c(c4)Cl)Cl)Cl

KKF,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: KKF
pdbx chem comp identifier.program: ACDLabs
pdbx chem comp identifier.program version: 12.01
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

KKF,OpenEye OEToolkits,2.0.7,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: 8-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: KKF
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 2.0.7
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: 8-[(~{E})-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one