
 CHEMBL3961939

 69 71  0  0  0  0  0  0  0  0999 V2000
    1.1864    1.7384    1.8680 C   0  0  0  0  0
    2.4956    1.1928    1.2904 C   0  0  0  0  0
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    0.3106    1.2448    1.4401 H   0  0  0  0  0
    1.0935    2.8093    1.6540 H   0  0  0  0  0
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    0.9687   -0.9538    2.4737 H   0  0  0  0  0
    1.3833   -1.9207   -0.3895 H   0  0  0  0  0
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   -0.0694   -1.9408    0.5924 H   0  0  0  0  0
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    1.2790   -3.3683    2.1871 H   0  0  0  0  0
    2.6405   -2.6861    3.0749 H   0  0  0  0  0
    5.4548    0.0369    1.8992 H   0  0  0  0  0
    7.6861   -0.2506    1.9253 H   0  0  0  0  0
    9.7530   -0.9110   -1.7674 H   0  0  0  0  0
    5.4668   -0.9379   -1.6967 H   0  0  0  0  0
   10.8833   -0.1384    0.2178 H   0  0  0  0  0
    9.6351   -1.3569    2.6445 H   0  0  0  0  0
   12.5419   -0.7092    1.9364 H   0  0  0  0  0
   11.7842   -2.3032    1.8593 H   0  0  0  0  0
   11.9800   -1.4943    3.4250 H   0  0  0  0  0
   11.0968    1.3482    2.5169 H   0  0  0  0  0
   10.5229    0.5343    3.9848 H   0  0  0  0  0
    9.3652    1.1534    2.8011 H   0  0  0  0  0
    5.1472    4.8316    5.9503 H   0  0  0  0  0
    6.2712    3.3674    7.5545 H   0  0  0  0  0
    6.4109    0.9639    7.1292 H   0  0  0  0  0
    6.0158   -0.6748    4.0849 H   0  0  0  0  0
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    6.4095   -0.7831    5.7761 H   0  0  0  0  0
    4.4837    4.6662    2.9735 H   0  0  0  0  0
    3.5862    5.1570    4.3964 H   0  0  0  0  0
    2.8860    3.9223    3.3985 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
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 35 69  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3961939

>  <PubChem CID>
89799805

>  <Formula>
C27H34F3N3O2

>  <Molecular Weight>
489.583000

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

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C27H34F3N3O2/c1-15(2)26(14-33(24(34)19(26)7)23-17(5)9-8-10-18(23)6)25(35)32-22-12-20(27(28,29)30)11-21(13-22)31-16(3)4/h8-13,15-16,19,31H,14H2,1-7H3,(H,32,35)/t19-,26+/m1/s1

>  <InChI Key>
FHKVCGWXWJWLHU-BCHFMIIMSA-N

