
 CHEMBL378180

 73 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL378180

>  <PubChem CID>
10218604

>  <Formula>
C32H32ClF3N4O

>  <Molecular Weight>
581.080000

>  <IUPAC Name>
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[4-[4-(3-cyanophenyl)phenyl]-1-cyclopentylpiperidin-4-yl]amino]acetamide

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCC(C1)N2CCC(CC2)(C3=CC=C(C=C3)C4=CC=CC(=C4)C#N)NCC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F

>  <Isomeric SMILES>
C1CCC(C1)N2CCC(CC2)(C3=CC=C(C=C3)C4=CC=CC(=C4)C#N)NCC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C32H32ClF3N4O/c33-29-13-12-26(19-28(29)32(34,35)36)39-30(41)21-38-31(14-16-40(17-15-31)27-6-1-2-7-27)25-10-8-23(9-11-25)24-5-3-4-22(18-24)20-37/h3-5,8-13,18-19,27,38H,1-2,6-7,14-17,21H2,(H,39,41)

>  <InChI Key>
CMJMDFJQANEZRN-UHFFFAOYSA-N

