
 CHEMBL3918834

 72 74  0  0  0  0  0  0  0  0999 V2000
    5.7369    3.1373   -1.9783 C   0  0  0  0  0
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    5.8173    3.8617    5.2408 C   0  0  0  0  0
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    3.2988    2.8920    0.4000 H   0  0  0  0  0
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    5.6858   -5.3470   -3.5157 H   0  0  0  0  0
    4.0155   -2.5652   -0.7282 H   0  0  0  0  0
    9.1557    3.6919    4.7271 H   0  0  0  0  0
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    8.5240    1.8959    1.8160 H   0  0  0  0  0
    9.7143    2.8631    2.6755 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3918834

>  <PubChem CID>
134139127

>  <Formula>
C28H33F6N3O2

>  <Molecular Weight>
557.581000

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

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1C(=O)N(CC1(CN(C)CC(C)C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=CC=C3C)C

>  <Isomeric SMILES>
C[C@@H]1C(=O)N(C[C@@]1(CN(C)CC(C)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/C28H33F6N3O2/c1-16(2)13-36(6)14-26(15-37(24(38)19(26)5)23-17(3)8-7-9-18(23)4)25(39)35-22-11-20(27(29,30)31)10-21(12-22)28(32,33)34/h7-12,16,19H,13-15H2,1-6H3,(H,35,39)/t19-,26-/m1/s1

>  <InChI Key>
JIMBXNVWVHOORE-NIYFSFCBSA-N

