
 CHEMBL196133

 72 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL196133

>  <PubChem CID>
11540160

>  <Formula>
C29H37N3O3

>  <Molecular Weight>
475.633000

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

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

>  <Isomeric SMILES>
C1CCC(CC1)C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)C(=O)O

>  <InChI Std. ID>
InChI=1S/C29H37N3O3/c33-27(30-23-8-4-7-22(14-23)28(34)35)25-24(31-26(32-25)21-5-2-1-3-6-21)9-10-29-15-18-11-19(16-29)13-20(12-18)17-29/h4,7-8,14,18-21H,1-3,5-6,9-13,15-17H2,(H,30,33)(H,31,32)(H,34,35)

>  <InChI Key>
ZXEPWVGSUXIBGI-UHFFFAOYSA-N

