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- ChemComp-QCW: ~{N}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: QCW
NameName: ~{N}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide

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Chemical information

Composition
Formula: C14H14N2O2 / Number of atoms: 32 / Formula weight: 242.273 / Formal charge: 0
Others

6zb0

Type: non-polymer / PDB classification: HETAIN / Three letter code: QCW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ZB0
History
Create componentJun 8, 2020
Initial releaseAug 5, 2020
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CNC(=O)C1=CC=CN(Cc2ccccc2)C1=O
OpenEye OEToolkits 2.0.7CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2

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SMILES CANONICAL

CACTVS 3.385CNC(=O)C1=CC=CN(Cc2ccccc2)C1=O
OpenEye OEToolkits 2.0.7CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2

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InChI

InChI 1.03InChI=1S/C14H14N2O2/c1-15-13(17)12-8-5-9-16(14(12)18)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,15,17)

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InChIKey

InChI 1.03FPNFBPWMDHIOEK-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6zb0:
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-benzyl-N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

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