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- ChemComp-ZRM: 7-(4-HYDROXYPHENYL)-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE -

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Basic information

EntryDatabase: PDB chemical components / ID: ZRM
NameName: 7-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-C]pyridin-4-one

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Chemical information

Composition
Formula: C18H12N2O2S / Number of atoms: 35 / Formula weight: 320.365 / Formal charge: 0
Others

3zrm

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ZRM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ZRM
History
Create componentJun 17, 2011
Modify descriptorSep 5, 2014
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C2c1cc(sc1C(=CN2)c3ccc(O)cc3)c4ccncc4
CACTVS 3.385Oc1ccc(cc1)C2=CNC(=O)c3cc(sc23)c4ccncc4
OpenEye OEToolkits 1.9.2c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)O

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SMILES CANONICAL

CACTVS 3.385Oc1ccc(cc1)C2=CNC(=O)c3cc(sc23)c4ccncc4
OpenEye OEToolkits 1.9.2c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)O

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InChI

InChI 1.03InChI=1S/C18H12N2O2S/c21-13-3-1-11(2-4-13)15-10-20-18(22)14-9-16(23-17(14)15)12-5-7-19-8-6-12/h1-10,21H,(H,20,22)

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InChIKey

InChI 1.03CCZJKJIDVXAPAV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.017-(4-hydroxyphenyl)-2-(pyridin-4-yl)thieno[3,2-c]pyridin-4(5H)-one
OpenEye OEToolkits 1.9.27-(4-hydroxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

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PDB entries

Showing all 1 items

PDB-3zrm:
Identification of 2-(4-pyridyl)thienopyridinones as GSK-3beta inhibitors

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