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- ChemComp-8HZ: 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol -

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Basic information

EntryDatabase: PDB chemical components / ID: 8HZ
NameName: 4-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol

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Chemical information

Composition
Formula: C21H19N3O / Number of atoms: 44 / Formula weight: 329.395 / Formal charge: 0
Others

5n18

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8HZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5N18
History
Create componentFeb 8, 2017
Initial releaseMay 31, 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 3.385Cc1ccc(Nc2n3cccc(C)c3nc2c4ccc(O)cc4)cc1
OpenEye OEToolkits 2.0.6Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O

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SMILES CANONICAL

CACTVS 3.385Cc1ccc(Nc2n3cccc(C)c3nc2c4ccc(O)cc4)cc1
OpenEye OEToolkits 2.0.6Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O

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InChI

InChI 1.03InChI=1S/C21H19N3O/c1-14-5-9-17(10-6-14)22-21-19(16-7-11-18(25)12-8-16)23-20-15(2)4-3-13-24(20)21/h3-13,22,25H,1-2H3

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InChIKey

InChI 1.03KPRSGDIGCGTRAS-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.64-[8-methyl-3-[(4-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl]phenol

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PDB entries

Showing all 1 items

PDB-5n18:
Second Bromodomain (BD2) from Candida albicans Bdf1 bound to an imidazopyridine (compound 2)

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