
 CHEMBL3894891

 73 76  0  0  0  0  0  0  0  0999 V2000
    1.0372    0.6590   -0.6766 C   0  0  0  0  0
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    6.8824    1.8894    1.4858 C   0  0  0  0  0
    2.1083    3.7039    2.1115 C   0  0  0  0  0
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    2.9528    0.2781   -1.4583 H   0  0  0  0  0
    4.9547   -0.0569    1.6528 H   0  0  0  0  0
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    2.4690   -2.0595    2.0006 H   0  0  0  0  0
    1.5159   -1.9376    0.5674 H   0  0  0  0  0
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    2.7617   -2.4400    6.5792 H   0  0  0  0  0
    1.1573   -1.9497    7.1858 H   0  0  0  0  0
    1.5495   -3.2360    4.5816 H   0  0  0  0  0
    0.1428   -2.2090    4.9584 H   0  0  0  0  0
    5.3463   -0.0014   -0.5887 H   0  0  0  0  0
    7.3960   -0.1028   -1.6742 H   0  0  0  0  0
    8.0166   -3.1669   -4.6335 H   0  0  0  0  0
    4.4502   -3.2024   -2.2460 H   0  0  0  0  0
    3.4570    5.5446    3.4807 H   0  0  0  0  0
    5.8665    5.6904    3.9488 H   0  0  0  0  0
    7.4116    3.9974    3.0587 H   0  0  0  0  0
    6.6607    1.6520    0.4415 H   0  0  0  0  0
    6.9029    0.9725    2.0804 H   0  0  0  0  0
    7.8900    2.3199    1.4994 H   0  0  0  0  0
    1.8374    4.2380    1.1960 H   0  0  0  0  0
    1.5960    4.1900    2.9497 H   0  0  0  0  0
    1.7175    2.6852    2.0695 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3894891

>  <PubChem CID>
89799789

>  <Formula>
C29H33F6N3O2

>  <Molecular Weight>
569.592000

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

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1C(=O)N(CC1(CN(C)CC2CCC2)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(CN(C)CC2CCC2)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/C29H33F6N3O2/c1-17-7-5-8-18(2)24(17)38-16-27(19(3)25(38)39,15-37(4)14-20-9-6-10-20)26(40)36-23-12-21(28(30,31)32)11-22(13-23)29(33,34)35/h5,7-8,11-13,19-20H,6,9-10,14-16H2,1-4H3,(H,36,40)/t19-,27-/m1/s1

>  <InChI Key>
AFHOBGBVUWVPTC-XHCCPWGMSA-N

