
 CHEMBL3913510

 72 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3913510

>  <PubChem CID>
89799876

>  <Formula>
C28H32F7N3O2

>  <Molecular Weight>
575.572000

>  <IUPAC Name>
(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-[[4-fluorobutyl(methyl)amino]methyl]-4-methyl-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1C(=O)N(CC1(CN(C)CCCCF)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC=C3C)C

>  <Isomeric SMILES>
C[C@@H]1C(=O)N(C[C@@]1(CN(C)CCCCF)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC=C3C)C

>  <InChI Std. ID>
InChI=1S/C28H32F7N3O2/c1-17-8-7-9-18(2)23(17)38-16-26(19(3)24(38)39,15-37(4)11-6-5-10-29)25(40)36-22-13-20(27(30,31)32)12-21(14-22)28(33,34)35/h7-9,12-14,19H,5-6,10-11,15-16H2,1-4H3,(H,36,40)/t19-,26-/m1/s1

>  <InChI Key>
CISUXAXXTJZISD-NIYFSFCBSA-N

