
 CHEMBL197873

 75 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL197873

>  <PubChem CID>
11643045

>  <Formula>
C32H37N3O3

>  <Molecular Weight>
511.666000

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

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC=C1C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)CCC(=O)O

>  <Isomeric SMILES>
CC1=CC=CC=C1C2=NC(=C(N2)CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC(=C6)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C32H37N3O3/c1-20-5-2-3-8-26(20)30-34-27(11-12-32-17-22-13-23(18-32)15-24(14-22)19-32)29(35-30)31(38)33-25-7-4-6-21(16-25)9-10-28(36)37/h2-8,16,22-24H,9-15,17-19H2,1H3,(H,33,38)(H,34,35)(H,36,37)

>  <InChI Key>
DWIACYULJQEKIS-UHFFFAOYSA-N

