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- ChemComp-V1T: 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide -

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Basic information

EntryDatabase: PDB chemical components / ID: V1T
NameName: 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide

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Chemical information

Composition
Formula: C10H11N3O2 / Number of atoms: 26 / Formula weight: 205.213 / Formal charge: 0
Others

4uyd

Type: non-polymer / PDB classification: HETAIN / Three letter code: V1T / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4UYD
History
Create componentAug 30, 2014
Initial releaseSep 17, 2014
External linksUniChem / ChemSpider / BindingDB / ChEMBL / GtoPharmacology / PubChem / 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 12.01O=C(c1ccc2c(c1)N(C(=O)N2C)C)N
CACTVS 3.385CN1C(=O)N(C)c2cc(ccc12)C(N)=O
OpenEye OEToolkits 1.7.6CN1c2ccc(cc2N(C1=O)C)C(=O)N

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SMILES CANONICAL

CACTVS 3.385CN1C(=O)N(C)c2cc(ccc12)C(N)=O
OpenEye OEToolkits 1.7.6CN1c2ccc(cc2N(C1=O)C)C(=O)N

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InChI

InChI 1.03InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)

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InChIKey

InChI 1.03BRBLVCVSNVSPMT-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide
OpenEye OEToolkits 1.7.61,3-dimethyl-2-oxidanylidene-benzimidazole-5-carboxamide

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PDB entries

Showing all 1 items

PDB-4uyd:
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide

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