thieno[3,2-b]pyridin-7-ol
type: datablock
datablock name: TR2
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

TR2
type: chem comp
of datablock: thieno[3,2-b]pyridin-7-ol
chem comp.id: TR2
chem comp.formula: C7 H5 N O S
chem comp.formula weight: 151.186
chem comp.name: thieno[3,2-b]pyridin-7-ol
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: 2010-06-08
chem comp.pdbx model coordinates db code: 3NCA
chem comp.pdbx model coordinates missing flag: N
chem comp.pdbx modified date: 2011-06-04
chem comp.pdbx processing site: RCSB
chem comp.pdbx release status: REL
chem comp.pdbx type: HETAIN
chem comp.three letter code: TR2
chem comp.type: non-polymer

C10,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: C10
chem comp atom.comp id: TR2
chem comp atom.alt atom id: C10
chem comp atom.charge: 0
chem comp atom.model cartn x: -3.391
chem comp atom.model cartn y: -1.009
chem comp atom.model cartn z: 18.153
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C10
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.064
chem comp atom.pdbx model cartn y ideal: -0.286
chem comp atom.pdbx model cartn z ideal: -0.010
chem comp atom.pdbx ordinal: 1
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

O01,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: O01
chem comp atom.comp id: TR2
chem comp atom.alt atom id: O01
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.338
chem comp atom.model cartn y: -0.875
chem comp atom.model cartn z: 15.928
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: O01
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.391
chem comp atom.pdbx model cartn y ideal: -2.195
chem comp atom.pdbx model cartn z ideal: -0.032
chem comp atom.pdbx ordinal: 2
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: O

C02,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: C02
chem comp atom.comp id: TR2
chem comp atom.alt atom id: C02
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.998
chem comp atom.model cartn y: -0.288
chem comp atom.model cartn z: 17.001
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C02
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.222
chem comp atom.pdbx model cartn y ideal: -0.848
chem comp atom.pdbx model cartn z ideal: -0.019
chem comp atom.pdbx ordinal: 3
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C03,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: C03
chem comp atom.comp id: TR2
chem comp atom.alt atom id: C03
chem comp atom.charge: 0
chem comp atom.model cartn x: -3.334
chem comp atom.model cartn y: 1.063
chem comp atom.model cartn z: 16.828
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C03
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.318
chem comp atom.pdbx model cartn y ideal: 0.003
chem comp atom.pdbx model cartn z ideal: -0.012
chem comp atom.pdbx ordinal: 4
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C04,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: C04
chem comp atom.comp id: TR2
chem comp atom.alt atom id: C04
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.095
chem comp atom.model cartn y: 1.703
chem comp atom.model cartn z: 17.838
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C04
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.107
chem comp atom.pdbx model cartn y ideal: 1.371
chem comp atom.pdbx model cartn z ideal: 0.002
chem comp atom.pdbx ordinal: 5
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

N05,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: N05
chem comp atom.comp id: TR2
chem comp atom.alt atom id: N05
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.513
chem comp atom.model cartn y: 1.079
chem comp atom.model cartn z: 18.963
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: N05
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -0.898
chem comp atom.pdbx model cartn y ideal: 1.876
chem comp atom.pdbx model cartn z ideal: 0.009
chem comp atom.pdbx ordinal: 6
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: N

C06,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: C06
chem comp atom.comp id: TR2
chem comp atom.alt atom id: C06
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.161
chem comp atom.model cartn y: -0.255
chem comp atom.model cartn z: 19.103
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C06
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 0.205
chem comp atom.pdbx model cartn y ideal: 1.102
chem comp atom.pdbx model cartn z ideal: 0.004
chem comp atom.pdbx ordinal: 7
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C07,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: C07
chem comp atom.comp id: TR2
chem comp atom.alt atom id: C07
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.544
chem comp atom.model cartn y: -1.052
chem comp atom.model cartn z: 20.265
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C07
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.602
chem comp atom.pdbx model cartn y ideal: 1.502
chem comp atom.pdbx model cartn z ideal: 0.011
chem comp atom.pdbx ordinal: 8
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

C08,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: C08
chem comp atom.comp id: TR2
chem comp atom.alt atom id: C08
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.087
chem comp atom.model cartn y: -2.328
chem comp atom.model cartn z: 20.193
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: C08
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 2.466
chem comp atom.pdbx model cartn y ideal: 0.504
chem comp atom.pdbx model cartn z ideal: 0.004
chem comp atom.pdbx ordinal: 9
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: C

S09,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: S09
chem comp atom.comp id: TR2
chem comp atom.alt atom id: S09
chem comp atom.charge: 0
chem comp atom.model cartn x: -3.184
chem comp atom.model cartn y: -2.641
chem comp atom.model cartn z: 18.744
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: Y
chem comp atom.pdbx component atom id: S09
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.649
chem comp atom.pdbx model cartn y ideal: -1.048
chem comp atom.pdbx model cartn z ideal: -0.007
chem comp atom.pdbx ordinal: 10
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: S

HO01,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: HO01
chem comp atom.comp id: TR2
chem comp atom.alt atom id: HO01
chem comp atom.charge: 0
chem comp atom.model cartn x: -2.167
chem comp atom.model cartn y: -0.218
chem comp atom.model cartn z: 15.263
chem comp atom.pdbx align: 0
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: HO01
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -1.442
chem comp atom.pdbx model cartn y ideal: -2.594
chem comp atom.pdbx model cartn z ideal: 0.848
chem comp atom.pdbx ordinal: 11
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H03,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: H03
chem comp atom.comp id: TR2
chem comp atom.alt atom id: H03
chem comp atom.charge: 0
chem comp atom.model cartn x: -3.020
chem comp atom.model cartn y: 1.602
chem comp atom.model cartn z: 15.946
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H03
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -3.321
chem comp atom.pdbx model cartn y ideal: -0.397
chem comp atom.pdbx model cartn z ideal: -0.019
chem comp atom.pdbx ordinal: 12
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H04,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: H04
chem comp atom.comp id: TR2
chem comp atom.alt atom id: H04
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.355
chem comp atom.model cartn y: 2.743
chem comp atom.model cartn z: 17.702
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H04
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: -2.958
chem comp atom.pdbx model cartn y ideal: 2.037
chem comp atom.pdbx model cartn z ideal: 0.007
chem comp atom.pdbx ordinal: 13
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H07,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: H07
chem comp atom.comp id: TR2
chem comp atom.alt atom id: H07
chem comp atom.charge: 0
chem comp atom.model cartn x: -5.126
chem comp atom.model cartn y: -0.669
chem comp atom.model cartn z: 21.090
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H07
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 1.910
chem comp atom.pdbx model cartn y ideal: 2.537
chem comp atom.pdbx model cartn z ideal: 0.022
chem comp atom.pdbx ordinal: 14
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

H08,TR2
type: chem comp atom
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
chem comp atom.atom id: H08
chem comp atom.comp id: TR2
chem comp atom.alt atom id: H08
chem comp atom.charge: 0
chem comp atom.model cartn x: -4.266
chem comp atom.model cartn y: -3.070
chem comp atom.model cartn z: 20.957
chem comp atom.pdbx align: 1
chem comp atom.pdbx aromatic flag: N
chem comp atom.pdbx component atom id: H08
chem comp atom.pdbx component comp id: TR2
chem comp atom.pdbx leaving atom flag: N
chem comp atom.pdbx model cartn x ideal: 3.539
chem comp atom.pdbx model cartn y ideal: 0.627
chem comp atom.pdbx model cartn z ideal: 0.008
chem comp atom.pdbx ordinal: 15
chem comp atom.pdbx stereo config: N
chem comp atom.type symbol: H

C10,C02,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C02
chem comp bond.comp id: TR2
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 1
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C10,C06,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C06
chem comp bond.comp id: TR2
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: sing

C10,S09,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: S09
chem comp bond.comp id: TR2
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

O01,C02,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: O01
chem comp bond.atom id 2: C02
chem comp bond.comp id: TR2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 4
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

O01,HO01,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: O01
chem comp bond.atom id 2: HO01
chem comp bond.comp id: TR2
chem comp bond.pdbx aromatic flag: N
chem comp bond.pdbx ordinal: 5
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C02,C03,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C02
chem comp bond.atom id 2: C03
chem comp bond.comp id: TR2
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: sing

C03,C04,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C03
chem comp bond.atom id 2: C04
chem comp bond.comp id: TR2
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: doub

C03,H03,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C03
chem comp bond.atom id 2: H03
chem comp bond.comp id: TR2
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

C04,N05,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C04
chem comp bond.atom id 2: N05
chem comp bond.comp id: TR2
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 9
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C04,H04,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C04
chem comp bond.atom id 2: H04
chem comp bond.comp id: TR2
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

N05,C06,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: N05
chem comp bond.atom id 2: C06
chem comp bond.comp id: TR2
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 11
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C06,C07,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C06
chem comp bond.atom id 2: C07
chem comp bond.comp id: TR2
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 12
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C07,C08,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C07
chem comp bond.atom id 2: C08
chem comp bond.comp id: TR2
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 13
chem comp bond.pdbx stereo config: N
chem comp bond.value order: doub

C07,H07,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C07
chem comp bond.atom id 2: H07
chem comp bond.comp id: TR2
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

C08,S09,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C08
chem comp bond.atom id 2: S09
chem comp bond.comp id: TR2
chem comp bond.pdbx aromatic flag: Y
chem comp bond.pdbx ordinal: 15
chem comp bond.pdbx stereo config: N
chem comp bond.value order: sing

C08,H08,TR2
type: chem comp bond
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
reference to chem comp atom: http://rdf.wwpdb.org/cc/TR2/chem_comp_atom/,
chem comp bond.atom id 1: C08
chem comp bond.atom id 2: H08
chem comp bond.comp id: TR2
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

Create component,TR2,2010-06-08
type: pdbx chem comp audit
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
pdbx chem comp audit.action type: Create component
pdbx chem comp audit.comp id: TR2
pdbx chem comp audit.date: 2010-06-08
pdbx chem comp audit.processing site: RCSB

Modify descriptor,TR2,2011-06-04
type: pdbx chem comp audit
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
pdbx chem comp audit.action type: Modify descriptor
pdbx chem comp audit.comp id: TR2
pdbx chem comp audit.date: 2011-06-04
pdbx chem comp audit.processing site: RCSB

TR2,ACDLabs,12.01,SMILES
type: pdbx chem comp descriptor
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: TR2
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: n1ccc(O)c2sccc12

TR2,CACTVS,3.370,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: TR2
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.370
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: Oc1ccnc2ccsc12

TR2,CACTVS,3.370,SMILES
type: pdbx chem comp descriptor
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: TR2
pdbx chem comp descriptor.program: CACTVS
pdbx chem comp descriptor.program version: 3.370
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: Oc1ccnc2ccsc12

TR2,OpenEye OEToolkits,1.7.0,SMILES CANONICAL
type: pdbx chem comp descriptor
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: TR2
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.7.0
pdbx chem comp descriptor.type: SMILES_CANONICAL
pdbx chem comp descriptor.descriptor: c1cnc2ccsc2c1O

TR2,OpenEye OEToolkits,1.7.0,SMILES
type: pdbx chem comp descriptor
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: TR2
pdbx chem comp descriptor.program: OpenEye OEToolkits
pdbx chem comp descriptor.program version: 1.7.0
pdbx chem comp descriptor.type: SMILES
pdbx chem comp descriptor.descriptor: c1cnc2ccsc2c1O

TR2,InChI,1.03,InChI
type: pdbx chem comp descriptor
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: TR2
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/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9)

TR2,InChI,1.03,InChIKey
type: pdbx chem comp descriptor
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
pdbx chem comp descriptor.comp id: TR2
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: AACVULYSNJAKEQ-UHFFFAOYSA-N

TR2,ACDLabs,12.01,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: TR2
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: thieno[3,2-b]pyridin-7-ol

TR2,OpenEye OEToolkits,1.7.0,SYSTEMATIC NAME
type: pdbx chem comp identifier
of datablock: thieno[3,2-b]pyridin-7-ol
reference to chem comp: chem comp
pdbx chem comp identifier.comp id: TR2
pdbx chem comp identifier.program: OpenEye OEToolkits
pdbx chem comp identifier.program version: 1.7.0
pdbx chem comp identifier.type: SYSTEMATIC NAME
pdbx chem comp identifier.identifier: thieno[3,2-b]pyridin-7-ol