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- ChemComp-K7D: 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: K7D
NameName: 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid

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Chemical information

Composition
Formula: C16H11NO3 / Number of atoms: 31 / Formula weight: 265.263 / Formal charge: 0
Others

6myz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: K7D / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6MYZ
History
Create componentNov 5, 2018
Initial releaseNov 6, 2019
External linksUniChem / ChemSpider / PubChem / 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 12.01c3c(c1cccc2c1NC=C(C(=O)O)C2=O)cccc3
CACTVS 3.385OC(=O)C1=CNc2c(cccc2c3ccccc3)C1=O
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2cccc3c2NC=C(C3=O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)C1=CNc2c(cccc2c3ccccc3)C1=O
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2cccc3c2NC=C(C3=O)C(=O)O

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InChI

InChI 1.03InChI=1S/C16H11NO3/c18-15-12-8-4-7-11(10-5-2-1-3-6-10)14(12)17-9-13(15)16(19)20/h1-9H,(H,17,18)(H,19,20)

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InChIKey

InChI 1.03IYZQCKZKSCOMCY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid
OpenEye OEToolkits 2.0.64-oxidanylidene-8-phenyl-1~{H}-quinoline-3-carboxylic acid

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PDB entries

Showing all 1 items

PDB-6myz:
Crystal structure of Tdp1 catalytic domain in complex with compound XZ520

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