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- ChemComp-VH7: N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-... -

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Basic information

EntryDatabase: PDB chemical components / ID: VH7
NameName: N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

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Chemical information

Composition
Formula: C23H27N3O2 / Number of atoms: 55 / Formula weight: 377.479 / Formal charge: 0
Others

7jr8

Type: non-polymer / PDB classification: HETAIN / Three letter code: VH7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7JR8
History
Create componentAug 12, 2020
Initial releaseMay 26, 2021
External linksUniChem / ChemSpider / ChEMBL / 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 12.01C1C(CCC(C(C)(O)C)C1)NC(=O)c4ccc2n(cc(n2)c3ccccc3)c4
CACTVS 3.385CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4
OpenEye OEToolkits 2.0.7CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4)O

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SMILES CANONICAL

CACTVS 3.385CC(C)(O)[C@@H]1CC[C@H](CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4
OpenEye OEToolkits 2.0.7CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4)O

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InChI

InChI 1.03InChI=1S/C23H27N3O2/c1-23(2,28)18-9-11-19(12-10-18)24-22(27)17-8-13-21-25-20(15-26(21)14-17)16-6-4-3-5-7-16/h3-8,13-15,18-19,28H,9-12H2,1-2H3,(H,24,27)/t18-,19-

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InChIKey

InChI 1.03GOQZMCCBUBCPNK-WGSAOQKQSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
OpenEye OEToolkits 2.0.7~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-2-phenyl-imidazo[1,2-a]pyridine-6-carboxamide

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PDB entries

Showing all 1 items

PDB-7jr8:
H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors

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