
 CHEMBL3922201

 70 73  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3922201

>  <PubChem CID>
89799873

>  <Formula>
C28H29F8N3O2

>  <Molecular Weight>
591.546000

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

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1C(=O)N(CC1(CN2CCCC(C2)(F)F)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(CN2CCCC(C2)(F)F)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/C28H29F8N3O2/c1-16-6-4-7-17(2)22(16)39-14-25(18(3)23(39)40,13-38-9-5-8-26(29,30)15-38)24(41)37-21-11-19(27(31,32)33)10-20(12-21)28(34,35)36/h4,6-7,10-12,18H,5,8-9,13-15H2,1-3H3,(H,37,41)/t18-,25-/m1/s1

>  <InChI Key>
AEGDPXAYVSWTHS-IQGLISFBSA-N

