
 CHEMBL3971028

 64 66  0  0  0  0  0  0  0  0999 V2000
    1.2313    0.1915   -0.2450 C   0  0  0  0  0
    2.7027    0.1385    0.1592 C   0  0  0  0  0
    3.0421    1.3583    0.9998 C   0  0  0  0  0
    2.6676    2.4901    0.7299 O   0  0  0  0  0
    3.8831    0.9600    2.0248 N   0  0  0  0  0
    4.1546   -0.4528    2.0084 C   0  0  0  0  0
    3.1802   -1.0986    0.9931 C   0  0  0  0  0
    2.0136   -1.8327    1.7209 C   0  0  0  0  0
    2.2863   -3.1922    2.4135 C   0  0  0  0  0
    3.1894   -3.1115    3.6413 C   0  0  0  0  0
    0.9410   -3.8052    2.8330 C   0  0  0  0  0
    3.9825   -2.0285    0.0380 C   0  0  0  0  0
    5.2105   -2.0222    0.0275 O   0  0  0  0  0
    3.2130   -2.8028   -0.8166 N   0  0  0  0  0
    3.6779   -3.7289   -1.7851 C   0  0  0  0  0
    2.7186   -4.5711   -2.3651 C   0  0  0  0  0
    3.0722   -5.5353   -3.3255 C   0  0  0  0  0
    4.4122   -5.6369   -3.7236 C   0  0  0  0  0
    5.3899   -4.7965   -3.1707 C   0  0  0  0  0
    5.0096   -3.8515   -2.1952 C   0  0  0  0  0
    6.8334   -4.8961   -3.6121 C   0  0  0  0  0
    7.3143   -3.7205   -4.0995 F   0  0  0  0  0
    7.6673   -5.2602   -2.6014 F   0  0  0  0  0
    7.0284   -5.8135   -4.6019 F   0  0  0  0  0
    2.0369   -6.4562   -3.9272 C   0  0  0  0  0
    1.9229   -6.2994   -5.2738 F   0  0  0  0  0
    2.3301   -7.7696   -3.7234 F   0  0  0  0  0
    0.7866   -6.2693   -3.4203 F   0  0  0  0  0
    4.4032    1.8089    3.0383 C   0  0  0  0  0
    5.8004    1.8650    3.2780 C   0  0  0  0  0
    6.2962    2.6371    4.3444 C   0  0  0  0  0
    5.4415    3.3847    5.1427 C   0  0  0  0  0
    4.0741    3.3586    4.8964 C   0  0  0  0  0
    3.5348    2.5651    3.8654 C   0  0  0  0  0
    2.0342    2.5296    3.7413 C   0  0  0  0  0
    6.8245    1.1664    2.4224 C   0  0  0  0  0
    0.9478   -0.6804   -0.8413 H   0  0  0  0  0
    1.0267    1.0828   -0.8485 H   0  0  0  0  0
    0.5727    0.2528    0.6295 H   0  0  0  0  0
    3.3071    0.2288   -0.7532 H   0  0  0  0  0
    5.1976   -0.6162    1.7558 H   0  0  0  0  0
    4.0002   -0.8063    3.0268 H   0  0  0  0  0
    1.2190   -2.0297    0.9911 H   0  0  0  0  0
    1.5689   -1.1463    2.4550 H   0  0  0  0  0
    2.7467   -3.8836    1.6991 H   0  0  0  0  0
    2.8529   -2.3315    4.3331 H   0  0  0  0  0
    4.2261   -2.9145    3.3558 H   0  0  0  0  0
    3.1919   -4.0595    4.1906 H   0  0  0  0  0
    0.4034   -3.1452    3.5231 H   0  0  0  0  0
    1.0850   -4.7703    3.3303 H   0  0  0  0  0
    0.3018   -3.9766    1.9603 H   0  0  0  0  0
    2.2111   -2.7841   -0.6828 H   0  0  0  0  0
    1.6759   -4.4989   -2.0590 H   0  0  0  0  0
    4.6945   -6.3783   -4.4741 H   0  0  0  0  0
    5.7868   -3.2089   -1.7870 H   0  0  0  0  0
    7.3658    2.6766    4.5413 H   0  0  0  0  0
    5.8408    3.9902    5.9517 H   0  0  0  0  0
    3.4195    3.9504    5.5338 H   0  0  0  0  0
    1.6755    1.4987    3.6675 H   0  0  0  0  0
    1.6977    3.1103    2.8801 H   0  0  0  0  0
    1.5536    2.9648    4.6256 H   0  0  0  0  0
    6.9800    0.1431    2.7774 H   0  0  0  0  0
    7.7900    1.6834    2.4629 H   0  0  0  0  0
    6.5274    1.1632    1.3692 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 40  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
 10 46  1  0  0  0
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 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
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 15 20  1  0  0  0
 15 16  2  0  0  0
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 17 18  2  0  0  0
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 21 24  1  0  0  0
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 21 22  1  0  0  0
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 25 26  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 36  1  0  0  0
 31 32  2  0  0  0
 31 56  1  0  0  0
 32 33  1  0  0  0
 32 57  1  0  0  0
 33 34  2  0  0  0
 33 58  1  0  0  0
 34 35  1  0  0  0
 35 59  1  0  0  0
 35 60  1  0  0  0
 35 61  1  0  0  0
 36 62  1  0  0  0
 36 63  1  0  0  0
 36 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3971028

>  <PubChem CID>
51034786

>  <Formula>
C26H28F6N2O2

>  <Molecular Weight>
514.512000

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

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1C(=O)N(CC1(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(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/C26H28F6N2O2/c1-14(2)12-24(13-34(22(35)17(24)5)21-15(3)7-6-8-16(21)4)23(36)33-20-10-18(25(27,28)29)9-19(11-20)26(30,31)32/h6-11,14,17H,12-13H2,1-5H3,(H,33,36)/t17-,24-/m1/s1

>  <InChI Key>
CFNCFGIEVNAYGF-MZNJEOGPSA-N

