
 CHEMBL3911691

 69 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3911691

>  <PubChem CID>
134132371

>  <Formula>
C28H31F3N4O3

>  <Molecular Weight>
528.576000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1CN(CCO1)CC2(CN(C(=O)C2C)C3=C(C=CC=C3C)C)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C#N

>  <Isomeric SMILES>
C[C@@H]1CN(CCO1)C[C@]2(CN(C(=O)[C@H]2C)C3=C(C=CC=C3C)C)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C#N

>  <InChI Std. ID>
InChI=1S/C28H31F3N4O3/c1-17-6-5-7-18(2)24(17)35-16-27(20(4)25(35)36,15-34-8-9-38-19(3)14-34)26(37)33-23-11-21(13-32)10-22(12-23)28(29,30)31/h5-7,10-12,19-20H,8-9,14-16H2,1-4H3,(H,33,37)/t19-,20-,27-/m1/s1

>  <InChI Key>
BWVURRHRNBKWTN-SEXOINJZSA-N

