
 CHEMBL3923540

 70 73  0  0  0  0  0  0  0  0999 V2000
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    8.2632    1.3190    4.9623 H   0  0  0  0  0
    5.2335    3.6759    3.0531 H   0  0  0  0  0
    6.2865   -1.7565    4.9360 H   0  0  0  0  0
    7.7523   -0.9982    5.5212 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3923540

>  <PubChem CID>
51034564

>  <Formula>
C28H34F3N3O2

>  <Molecular Weight>
501.594000

>  <IUPAC Name>
(3S,4S)-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxo-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1(CN(C(=O)C1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)CN4CCCC4

>  <Isomeric SMILES>
CC[C@]1(CN(C(=O)[C@H]1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)CN4CCCC4

>  <InChI Std. ID>
InChI=1S/C28H34F3N3O2/c1-5-27(17-34(25(35)20(27)4)24-18(2)9-8-10-19(24)3)26(36)32-23-14-21(16-33-11-6-7-12-33)13-22(15-23)28(29,30)31/h8-10,13-15,20H,5-7,11-12,16-17H2,1-4H3,(H,32,36)/t20-,27-/m1/s1

>  <InChI Key>
ILWDNADJNYPTDI-NFQMXDRXSA-N

