
 CHEMBL3931112

 65 68  0  0  0  0  0  0  0  0999 V2000
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    2.1822   -4.5351    2.3008 H   0  0  0  0  0
    3.7252   -4.1763    1.4889 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3931112

>  <PubChem CID>
51033453

>  <Formula>
C27H27F6N3O2

>  <Molecular Weight>
539.522000

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

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CC(CC2=O)(C3=CCN(CC3)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)(C3=CCN(CC3)C)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C27H27F6N3O2/c1-16-5-4-6-17(2)23(16)36-15-25(14-22(36)37,18-7-9-35(3)10-8-18)24(38)34-21-12-19(26(28,29)30)11-20(13-21)27(31,32)33/h4-7,11-13H,8-10,14-15H2,1-3H3,(H,34,38)

>  <InChI Key>
LAPLFPPCLKKCFU-UHFFFAOYSA-N

