
 CHEMBL370882

 72 77  0  0  0  0  0  0  0  0999 V2000
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   13.8949   -5.8055    0.6395 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL370882

>  <PubChem CID>
11679213

>  <Formula>
C31H35N3O3

>  <Molecular Weight>
497.639000

>  <IUPAC Name>
3-[[5-[2-(1-adamantyl)ethyl]-2-(2,4-dimethylphenyl)-1H-imidazole-4-carbonyl]amino]benzoic acid

>  <XlogP>
7.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O)C

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O)C

>  <InChI Std. ID>
InChI=1S/C31H35N3O3/c1-18-6-7-25(19(2)10-18)28-33-26(8-9-31-15-20-11-21(16-31)13-22(12-20)17-31)27(34-28)29(35)32-24-5-3-4-23(14-24)30(36)37/h3-7,10,14,20-22H,8-9,11-13,15-17H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)

>  <InChI Key>
CQBPOKFLLSPKGU-UHFFFAOYSA-N

