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- ChemComp-6P6: 1-(4-phenylazanylquinazolin-7-yl)ethanone -

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Basic information

EntryDatabase: PDB chemical components / ID: 6P6
NameName: 1-(4-phenylazanylquinazolin-7-yl)ethanone

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Chemical information

Composition
Formula: C16H13N3O / Number of atoms: 33 / Formula weight: 263.294 / Formal charge: 0
Others

5l6o

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6P6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5L6O
History
Create componentMay 31, 2016
Initial releaseAug 10, 2016
External linksUniChem / ChemSpider / Brenda / PubChem / 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

CACTVS 3.385CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1
OpenEye OEToolkits 2.0.5CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3

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SMILES CANONICAL

CACTVS 3.385CC(=O)c1ccc2c(Nc3ccccc3)ncnc2c1
OpenEye OEToolkits 2.0.5CC(=O)c1ccc2c(c1)ncnc2Nc3ccccc3

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InChI

InChI 1.03InChI=1S/C16H13N3O/c1-11(20)12-7-8-14-15(9-12)17-10-18-16(14)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,17,18,19)

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InChIKey

InChI 1.03PJPNKKKIJHLRQY-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.51-(4-phenylazanylquinazolin-7-yl)ethanone

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PDB entries

Showing all 1 items

PDB-5l6o:
EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 3)

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