
 CHEMBL3933817

 58 60  0  0  0  0  0  0  0  0999 V2000
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    5.7916   -0.2084    2.3581 C   0  0  0  0  0
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    8.9341   -1.9252    3.2627 F   0  0  0  0  0
    4.4159   -2.9278    5.4055 C   0  0  0  0  0
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    0.5447    6.3186   -0.1770 C   0  0  0  0  0
    3.4642    3.7680   -3.5113 C   0  0  0  0  0
   -0.5369   -1.0044   -0.7519 H   0  0  0  0  0
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    0.9733    0.0197    0.7891 H   0  0  0  0  0
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    3.8477    3.5628   -0.5364 H   0  0  0  0  0
    2.9866    4.5387    0.6713 H   0  0  0  0  0
    0.6694    3.4144    1.5238 H   0  0  0  0  0
    2.0419    3.3527    2.6394 H   0  0  0  0  0
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    3.8278    3.8940   -4.5371 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3933817

>  <PubChem CID>
51033454

>  <Formula>
C24H24F6N2O2

>  <Molecular Weight>
486.458000

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

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC1C(=O)N(CC1(C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC=C3C)C

>  <Isomeric SMILES>
CC[C@@H]1C(=O)N(C[C@]1(C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC=C3C)C

>  <InChI Std. ID>
InChI=1S/C24H24F6N2O2/c1-5-18-20(33)32(19-13(2)7-6-8-14(19)3)12-22(18,4)21(34)31-17-10-15(23(25,26)27)9-16(11-17)24(28,29)30/h6-11,18H,5,12H2,1-4H3,(H,31,34)/t18-,22+/m1/s1

>  <InChI Key>
KOTKRADTFVZNPE-GCJKJVERSA-N

