
 CHEMBL3946683

 67 70  0  0  0  0  0  0  0  0999 V2000
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    1.2330   -2.6643    3.9966 H   0  0  0  0  0
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    8.3515    1.0006    1.1705 H   0  0  0  0  0
  1  2  1  0  0  0
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  3  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3946683

>  <PubChem CID>
89799817

>  <Formula>
C27H29F6N3O2

>  <Molecular Weight>
541.538000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1C(=O)N(CC1(CN2CCCC2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C(C=CC=C4C)C

>  <Isomeric SMILES>
C[C@@H]1C(=O)N(C[C@@]1(CN2CCCC2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C(C=CC=C4C)C

>  <InChI Std. ID>
InChI=1S/C27H29F6N3O2/c1-16-7-6-8-17(2)22(16)36-15-25(18(3)23(36)37,14-35-9-4-5-10-35)24(38)34-21-12-19(26(28,29)30)11-20(13-21)27(31,32)33/h6-8,11-13,18H,4-5,9-10,14-15H2,1-3H3,(H,34,38)/t18-,25-/m1/s1

>  <InChI Key>
HAVOUGOKPOSQTR-IQGLISFBSA-N

