
 CHEMBL3898515

 73 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3898515

>  <PubChem CID>
89799796

>  <Formula>
C29H32F7N3O2

>  <Molecular Weight>
587.583000

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

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1C(=O)N(CC1(CN(CCF)CC2CC2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C(C=CC=C4C)C

>  <Isomeric SMILES>
C[C@@H]1C(=O)N(C[C@@]1(CN(CCF)CC2CC2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C(C=CC=C4C)C

>  <InChI Std. ID>
InChI=1S/C29H32F7N3O2/c1-17-5-4-6-18(2)24(17)39-16-27(19(3)25(39)40,15-38(10-9-30)14-20-7-8-20)26(41)37-23-12-21(28(31,32)33)11-22(13-23)29(34,35)36/h4-6,11-13,19-20H,7-10,14-16H2,1-3H3,(H,37,41)/t19-,27-/m1/s1

>  <InChI Key>
KLYYZBJJPKFALE-XHCCPWGMSA-N

