
 CHEMBL3976686

 62 64  0  0  0  0  0  0  0  0999 V2000
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   10.3699   -5.4263   -3.0622 F   0  0  0  0  0
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  1 39  1  0  0  0
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  3 11  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3976686

>  <PubChem CID>
51034893

>  <Formula>
C25H26F6N2O3

>  <Molecular Weight>
516.484000

>  <IUPAC Name>
N-[3,5-bis(trifluoromethyl)phenyl]-1-[2-(2-hydroxyethyl)-6-methylphenyl]-5-oxo-3-propan-2-ylpyrrolidine-3-carboxamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=CC=C1)CCO)N2CC(CC2=O)(C(C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)CCO)N2CC(CC2=O)(C(C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C25H26F6N2O3/c1-14(2)23(12-20(35)33(13-23)21-15(3)5-4-6-16(21)7-8-34)22(36)32-19-10-17(24(26,27)28)9-18(11-19)25(29,30)31/h4-6,9-11,14,34H,7-8,12-13H2,1-3H3,(H,32,36)

>  <InChI Key>
AFPVUAVAHDQHOI-UHFFFAOYSA-N

