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- ChemComp-6C3: 6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE -

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Basic information

EntryDatabase: PDB chemical components / ID: 6C3
NameName: 6-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1H)-one

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Chemical information

Composition
Formula: C19H13ClN2O2 / Number of atoms: 37 / Formula weight: 336.772 / Formal charge: 0
Others

2i0v

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6C3 / Model coordinates PDB-ID: 2I0V
History
Create componentAug 14, 2006
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEMBL / DrugBank / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 10.04Clc1cc2C(=C(C(=O)Nc2cc1)c3onc(c3)C)c4ccccc4
CACTVS 3.341Cc1cc(on1)C2=C(c3ccccc3)c4cc(Cl)ccc4NC2=O
OpenEye OEToolkits 1.5.0Cc1cc(on1)C2=C(c3cc(ccc3NC2=O)Cl)c4ccccc4

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SMILES CANONICAL

CACTVS 3.341Cc1cc(on1)C2=C(c3ccccc3)c4cc(Cl)ccc4NC2=O
OpenEye OEToolkits 1.5.0Cc1cc(on1)C2=C(c3cc(ccc3NC2=O)Cl)c4ccccc4

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InChI

InChI 1.03InChI=1S/C19H13ClN2O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,1H3,(H,21,23)

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InChIKey

InChI 1.03QINNOQKHPLWGBK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.046-chloro-3-(3-methylisoxazol-5-yl)-4-phenylquinolin-2(1H)-one
OpenEye OEToolkits 1.5.06-chloro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one

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PDB entries

Showing all 1 items

PDB-2i0v:
c-FMS tyrosine kinase in complex with a quinolone inhibitor

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