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- ChemComp-2K9: 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one -

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Basic information

EntryDatabase: PDB chemical components / ID: 2K9
NameName: 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one

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Chemical information

Composition
Formula: C19H11N3O / Number of atoms: 34 / Formula weight: 297.31 / Formal charge: 0
Others

4n55
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2K9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4N55
History
Create componentDec 24, 2013
Modify nameDec 24, 2013
Initial releaseMar 25, 2015
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=C4N=C2C(=Cc3c(c1ccccc1)cccc23)n5ccnc45
CACTVS 3.385O=C1N=C2C(=Cc3c(cccc23)c4ccccc4)n5ccnc15
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5

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SMILES CANONICAL

CACTVS 3.385O=C1N=C2C(=Cc3c(cccc23)c4ccccc4)n5ccnc15
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2cccc3c2C=C4C3=NC(=O)c5n4ccn5

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InChI

InChI 1.03InChI=1S/C19H11N3O/c23-19-18-20-9-10-22(18)16-11-15-13(12-5-2-1-3-6-12)7-4-8-14(15)17(16)21-19/h1-11H

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InChIKey

InChI 1.03SFZNDQGUHVYHPD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.019-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one

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PDB entries

Showing all 1 items

PDB-4xyc:
NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES

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