
 CHEMBL94176

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

>  <Chemical Name>
CHEMBL94176

>  <PubChem CID>
10100723

>  <Formula>
C34H29F3N4O4S

>  <Molecular Weight>
646.685000

>  <IUPAC Name>
N-[2-[4-[[3-[(2-methylcyclopropyl)methyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylbenzamide

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1CC1CC2=NN(C(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5=CC=CC=C5)C6=CC=CC=C6C(F)(F)F

>  <Isomeric SMILES>
CC1CC1CC2=NN(C(=O)N2CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5=CC=CC=C5)C6=CC=CC=C6C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C34H29F3N4O4S/c1-22-19-26(22)20-31-38-41(29-13-7-6-12-28(29)34(35,36)37)33(43)40(31)21-23-15-17-24(18-16-23)27-11-5-8-14-30(27)46(44,45)39-32(42)25-9-3-2-4-10-25/h2-18,22,26H,19-21H2,1H3,(H,39,42)

>  <InChI Key>
CCJJBAOBCOBULM-UHFFFAOYSA-N

