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- ChemComp-1O7: 8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one -

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Basic information

EntryDatabase: PDB chemical components / ID: 1O7
NameName: 8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one

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Chemical information

Composition
Formula: C13H11NO2S / Number of atoms: 28 / Formula weight: 245.297 / Formal charge: 0
Others

7oux

Type: non-polymer / PDB classification: HETAIN / Three letter code: 1O7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7OUX
History
Create componentJun 14, 2021
Initial releaseDec 8, 2021
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

CACTVS 3.385CCOc1ccc2C(=O)Nc3sccc3c2c1
OpenEye OEToolkits 2.0.7CCOc1ccc2c(c1)-c3ccsc3NC2=O

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SMILES CANONICAL

CACTVS 3.385CCOc1ccc2C(=O)Nc3sccc3c2c1
OpenEye OEToolkits 2.0.7CCOc1ccc2c(c1)-c3ccsc3NC2=O

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InChI

InChI 1.03InChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15)

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InChIKey

InChI 1.03LKASVOXYBOMEHH-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-7oux:
PARP15 catalytic domain in complex with OUL228

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