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- ChemComp-HKZ: 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmet... -

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Basic information

EntryDatabase: PDB chemical components / ID: HKZ
NameName: 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole

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Chemical information

Composition
Formula: C21H16Cl2N2O / Number of atoms: 42 / Formula weight: 383.271 / Formal charge: 0
Others

6q7a

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HKZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Q7A
History
Create componentDec 13, 2018
Initial releaseNov 27, 2019
External linksUniChem / ChemSpider / BindingDB / ChEMBL / PubChem / 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 3.385Cc1n(c(nc1Cc2ccccc2)c3occc3)c4c(Cl)cccc4Cl
OpenEye OEToolkits 2.0.6Cc1c(nc(n1c2c(cccc2Cl)Cl)c3ccco3)Cc4ccccc4

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SMILES CANONICAL

CACTVS 3.385Cc1n(c(nc1Cc2ccccc2)c3occc3)c4c(Cl)cccc4Cl
OpenEye OEToolkits 2.0.6Cc1c(nc(n1c2c(cccc2Cl)Cl)c3ccco3)Cc4ccccc4

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InChI

InChI 1.03InChI=1S/C21H16Cl2N2O/c1-14-18(13-15-7-3-2-4-8-15)24-21(19-11-6-12-26-19)25(14)20-16(22)9-5-10-17(20)23/h2-12H,13H2,1H3

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InChIKey

InChI 1.03YQPVLABIYDUDBN-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6q7a:
RORCVAR2 (RORGT, 264-499) IN COMPLEX WITH COMPOUND 4 AT 2.2A: Identification of N-aryl imidazoles as potent and selective RORgt inhibitors

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