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- ChemComp-7ZG: N-(2-amino-1H-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide -

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Basic information

EntryDatabase: PDB chemical components / ID: 7ZG
NameName: N-(2-amino-1H-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide

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Chemical information

Composition
Formula: C15H13ClN4O / Number of atoms: 34 / Formula weight: 300.743 / Formal charge: 0
Others

5pat

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 7ZG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5PAT
History
Create componentDec 13, 2016
Initial releaseJun 21, 2017
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

CACTVS 3.385Nc1[nH]c2cc(NC(=O)Cc3cccc(Cl)c3)ccc2n1
OpenEye OEToolkits 2.0.6c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N

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SMILES CANONICAL

CACTVS 3.385Nc1[nH]c2cc(NC(=O)Cc3cccc(Cl)c3)ccc2n1
OpenEye OEToolkits 2.0.6c1cc(cc(c1)Cl)CC(=O)Nc2ccc3c(c2)[nH]c(n3)N

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InChI

InChI 1.03InChI=1S/C15H13ClN4O/c16-10-3-1-2-9(6-10)7-14(21)18-11-4-5-12-13(8-11)20-15(17)19-12/h1-6,8H,7H2,(H,18,21)(H3,17,19,20)

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InChIKey

InChI 1.03HFZZWILRMJMUJK-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6~{N}-(2-azanyl-3~{H}-benzimidazol-5-yl)-2-(3-chlorophenyl)ethanamide

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PDB entries

Showing all 1 items

PDB-5pat:
Crystal Structure of Factor VIIa in complex with N-(2-amino-1H-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide

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