
 CHEMBL3926348

 79 82  0  0  0  0  0  0  0  0999 V2000
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    3.0823  -11.7646    3.8064 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3926348

>  <PubChem CID>
51033568

>  <Formula>
C31H35F6N3O4

>  <Molecular Weight>
627.628000

>  <IUPAC Name>
tert-butyl 4-[3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CC(CC2=O)(C3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N2CC(CC2=O)(C3CCN(CC3)C(=O)OC(C)(C)C)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C31H35F6N3O4/c1-18-7-6-8-19(2)25(18)40-17-29(16-24(40)41,20-9-11-39(12-10-20)27(43)44-28(3,4)5)26(42)38-23-14-21(30(32,33)34)13-22(15-23)31(35,36)37/h6-8,13-15,20H,9-12,16-17H2,1-5H3,(H,38,42)

>  <InChI Key>
HUQGOWJXRXYNBV-UHFFFAOYSA-N

