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- ChemComp-6AR: 1-(4-bromophenyl)-1H-imidazole -

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Basic information

EntryDatabase: PDB chemical components / ID: 6AR
NameName: 1-(4-bromophenyl)-1H-imidazole

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Chemical information

Composition
Formula: C9H7BrN2 / Number of atoms: 19 / Formula weight: 223.069 / Formal charge: 0
Others

5ifc

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6AR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5IFC
History
Create componentFeb 26, 2016
Initial releaseFeb 22, 2017
External linksUniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / 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 12.01Brc1ccc(cc1)n2ccnc2
CACTVS 3.385Brc1ccc(cc1)n2ccnc2
OpenEye OEToolkits 2.0.4c1cc(ccc1n2ccnc2)Br

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SMILES CANONICAL

CACTVS 3.385Brc1ccc(cc1)n2ccnc2
OpenEye OEToolkits 2.0.4c1cc(ccc1n2ccnc2)Br

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InChI

InChI 1.03InChI=1S/C9H7BrN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H

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InChIKey

InChI 1.03SERULNRLZWOYPK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.011-(4-bromophenyl)-1H-imidazole
OpenEye OEToolkits 2.0.41-(4-bromophenyl)imidazole

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PDB entries

Showing all 1 items

PDB-5ifc:
Crystal structure of polymerase acid protein (PA) from Influenza A virus, WILSON-SMITH/1933 (H1N1) bound to follow on fragment EBSI-4720 1-(4-bromophenyl)-1H-imidazole

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