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- ChemComp-HHM: N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide -

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Basic information

EntryDatabase: PDB chemical components / ID: HHM
NameName: N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide

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Chemical information

Composition
Formula: C18H15Cl2N3O / Number of atoms: 39 / Formula weight: 360.237 / Formal charge: 0
Others

6dya

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HHM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6DYA
History
Create componentJul 2, 2018
Initial releaseMar 13, 2019
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 12.01c3(cc(CNC(c1cc(ccc1)Cn2ccnc2)=O)cc(c3)Cl)Cl
CACTVS 3.385Clc1cc(Cl)cc(CNC(=O)c2cccc(Cn3ccnc3)c2)c1
OpenEye OEToolkits 2.0.6c1cc(cc(c1)C(=O)NCc2cc(cc(c2)Cl)Cl)Cn3ccnc3

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SMILES CANONICAL

CACTVS 3.385Clc1cc(Cl)cc(CNC(=O)c2cccc(Cn3ccnc3)c2)c1
OpenEye OEToolkits 2.0.6c1cc(cc(c1)C(=O)NCc2cc(cc(c2)Cl)Cl)Cn3ccnc3

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InChI

InChI 1.03InChI=1S/C18H15Cl2N3O/c19-16-7-14(8-17(20)9-16)10-22-18(24)15-3-1-2-13(6-15)11-23-5-4-21-12-23/h1-9,12H,10-11H2,(H,22,24)

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InChIKey

InChI 1.03JZXCLJKOXUVFTA-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[(3,5-dichlorophenyl)methyl]-3-[(1H-imidazol-1-yl)methyl]benzamide
OpenEye OEToolkits 2.0.6~{N}-[[3,5-bis(chloranyl)phenyl]methyl]-3-(imidazol-1-ylmethyl)benzamide

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PDB entries

Showing all 1 items

PDB-6dya:
WDR5 in complex with a WIN site inhibitor

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