
 CHEMBL3949555

 61 63  0  0  0  0  0  0  0  0999 V2000
    2.2126   -0.9051   -1.8395 C   0  0  0  0  0
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    3.1089    1.8090    0.9546 C   0  0  0  0  0
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    2.4115    1.8049    3.4657 C   0  0  0  0  0
    4.5844    1.7414    1.3850 C   0  0  0  0  0
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    5.1307    0.4773    1.5390 N   0  0  0  0  0
    6.4547    0.2135    1.9772 C   0  0  0  0  0
    6.7597   -1.0776    2.4228 C   0  0  0  0  0
    8.0366   -1.3837    2.9351 C   0  0  0  0  0
    9.0197   -0.3802    2.9767 C   0  0  0  0  0
    8.7440    0.9074    2.5065 C   0  0  0  0  0
    7.4635    1.1833    2.0002 C   0  0  0  0  0
    9.7781    2.0093    2.5430 C   0  0  0  0  0
   10.0564    2.5024    1.3057 F   0  0  0  0  0
    9.3842    3.0710    3.2957 F   0  0  0  0  0
   10.9733    1.6072    3.0614 F   0  0  0  0  0
    8.3624   -2.7625    3.4615 C   0  0  0  0  0
    9.4010   -3.3371    2.7974 F   0  0  0  0  0
    8.7182   -2.7420    4.7742 F   0  0  0  0  0
    7.3237   -3.6377    3.3668 F   0  0  0  0  0
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    1.8224    6.2980   -2.6487 C   0  0  0  0  0
    0.8345    7.0747   -2.0522 C   0  0  0  0  0
    0.1900    6.6150   -0.9074 C   0  0  0  0  0
    0.5171    5.3679   -0.3458 C   0  0  0  0  0
   -0.2529    4.9024    0.8580 C   0  0  0  0  0
    3.3214    4.3154   -2.7749 C   0  0  0  0  0
    2.0267   -1.9794   -1.7469 H   0  0  0  0  0
    3.1357   -0.7650   -2.4092 H   0  0  0  0  0
    1.3803   -0.4914   -2.4155 H   0  0  0  0  0
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    1.3126   -0.3184    0.0027 H   0  0  0  0  0
    3.7647    1.2130   -1.0435 H   0  0  0  0  0
    3.7027    3.8267    0.2714 H   0  0  0  0  0
    2.4741    3.8517    1.5421 H   0  0  0  0  0
    2.3175    0.1555    2.1446 H   0  0  0  0  0
    1.1358    1.4090    1.7929 H   0  0  0  0  0
    3.4151    1.5731    3.8326 H   0  0  0  0  0
    1.6981    1.3516    4.1621 H   0  0  0  0  0
    2.2671    2.8869    3.5029 H   0  0  0  0  0
    4.5045   -0.3153    1.5028 H   0  0  0  0  0
    5.9989   -1.8551    2.4075 H   0  0  0  0  0
   10.0055   -0.6091    3.3824 H   0  0  0  0  0
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    0.5689    8.0382   -2.4768 H   0  0  0  0  0
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    0.4179    4.6310    1.6763 H   0  0  0  0  0
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    4.1430    4.1778   -2.0667 H   0  0  0  0  0
    3.7233    4.8817   -3.6234 H   0  0  0  0  0
    3.0068    3.3487   -3.1723 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  3  1  0  0  0
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  3 41  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8 11  1  0  0  0
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  9 45  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3949555

>  <PubChem CID>
51034220

>  <Formula>
C25H26F6N2O2

>  <Molecular Weight>
500.485000

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

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC1C(=O)N(CC1(CC)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(CC)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/C25H26F6N2O2/c1-5-19-21(34)33(20-14(3)8-7-9-15(20)4)13-23(19,6-2)22(35)32-18-11-16(24(26,27)28)10-17(12-18)25(29,30)31/h7-12,19H,5-6,13H2,1-4H3,(H,32,35)/t19-,23-/m1/s1

>  <InChI Key>
CBVRFSBXCNLYJG-AUSIDOKSSA-N

