
 CHEMBL3947900

 64 66  0  0  0  0  0  0  0  0999 V2000
   -1.1457   -2.4975    4.5966 C   0  0  0  0  0
   -1.6231   -3.9167    4.7539 C   0  0  0  0  0
   -1.7542   -4.7954    3.6548 C   0  0  0  0  0
   -2.2906   -6.0894    3.8481 C   0  0  0  0  0
   -2.6621   -6.4868    5.1451 C   0  0  0  0  0
   -2.4889   -5.6369    6.2333 C   0  0  0  0  0
   -1.9731   -4.3602    6.0387 C   0  0  0  0  0
   -2.4899   -7.0788    2.7319 C   0  0  0  0  0
   -1.2842   -4.3644    2.3904 N   0  0  0  0  0
    0.1305   -4.3855    2.1097 C   0  0  0  0  0
    0.2687   -3.9048    0.6595 C   0  0  0  0  0
   -1.1144   -4.2354    0.0532 C   0  0  0  0  0
   -2.0468   -4.3664    1.2299 C   0  0  0  0  0
   -3.2577   -4.4908    1.1257 O   0  0  0  0  0
    1.3883   -4.6845   -0.0850 C   0  0  0  0  0
    1.4896   -4.3421   -1.5827 C   0  0  0  0  0
    2.5328   -5.1516   -2.3797 C   0  0  0  0  0
    3.9626   -4.8707   -1.9207 C   0  0  0  0  0
    2.2499   -6.6541   -2.3655 C   0  0  0  0  0
    0.5597   -2.3859    0.6206 C   0  0  0  0  0
   -0.2084   -1.6108    0.0595 O   0  0  0  0  0
    1.7528   -2.0089    1.2269 N   0  0  0  0  0
    2.3240   -0.7146    1.2706 C   0  0  0  0  0
    3.5310   -0.5706    1.9699 C   0  0  0  0  0
    4.1917    0.6696    2.0434 C   0  0  0  0  0
    3.6161    1.7830    1.4156 C   0  0  0  0  0
    2.4107    1.6626    0.7098 C   0  0  0  0  0
    1.7731    0.4089    0.6500 C   0  0  0  0  0
    1.7856    2.8538    0.0201 C   0  0  0  0  0
    1.5079    2.6150   -1.2903 F   0  0  0  0  0
    0.6135    3.2338    0.5963 F   0  0  0  0  0
    2.5829    3.9593    0.0340 F   0  0  0  0  0
    5.4839    0.8108    2.8133 C   0  0  0  0  0
    6.3249    1.7367    2.2765 F   0  0  0  0  0
    5.2768    1.1907    4.1031 F   0  0  0  0  0
    6.1951   -0.3494    2.8729 F   0  0  0  0  0
   -1.5065   -2.0598    3.6599 H   0  0  0  0  0
   -0.0535   -2.4569    4.6224 H   0  0  0  0  0
   -1.5334   -1.8646    5.4028 H   0  0  0  0  0
   -3.0851   -7.4752    5.3161 H   0  0  0  0  0
   -2.7713   -5.9650    7.2305 H   0  0  0  0  0
   -1.8675   -3.6987    6.8962 H   0  0  0  0  0
   -1.6010   -7.1412    2.0978 H   0  0  0  0  0
   -3.3619   -6.8091    2.1302 H   0  0  0  0  0
   -2.6679   -8.0879    3.1230 H   0  0  0  0  0
    0.4801   -5.4195    2.2237 H   0  0  0  0  0
    0.6644   -3.7641    2.8331 H   0  0  0  0  0
   -1.4947   -3.4748   -0.6334 H   0  0  0  0  0
   -1.1148   -5.2050   -0.4578 H   0  0  0  0  0
    1.1925   -5.7584    0.0223 H   0  0  0  0  0
    2.3551   -4.5025    0.3970 H   0  0  0  0  0
    1.7206   -3.2758   -1.6964 H   0  0  0  0  0
    0.5143   -4.4952   -2.0603 H   0  0  0  0  0
    2.4565   -4.8188   -3.4238 H   0  0  0  0  0
    4.1425   -5.2309   -0.9032 H   0  0  0  0  0
    4.1757   -3.7971   -1.9481 H   0  0  0  0  0
    4.6813   -5.3693   -2.5807 H   0  0  0  0  0
    2.4174   -7.0922   -1.3767 H   0  0  0  0  0
    2.9085   -7.1737   -3.0704 H   0  0  0  0  0
    1.2165   -6.8606   -2.6630 H   0  0  0  0  0
    2.2917   -2.7313    1.6861 H   0  0  0  0  0
    3.9802   -1.4282    2.4690 H   0  0  0  0  0
    4.1157    2.7521    1.4718 H   0  0  0  0  0
    0.8401    0.3472    0.0942 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  6  7  2  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  8 45  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
 10 47  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 48  1  0  0  0
 12 49  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 50  1  0  0  0
 15 51  1  0  0  0
 16 17  1  0  0  0
 16 52  1  0  0  0
 16 53  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17 54  1  0  0  0
 18 55  1  0  0  0
 18 56  1  0  0  0
 18 57  1  0  0  0
 19 58  1  0  0  0
 19 59  1  0  0  0
 19 60  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 61  1  0  0  0
 23 28  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 62  1  0  0  0
 25 26  2  0  0  0
 25 33  1  0  0  0
 26 27  1  0  0  0
 26 63  1  0  0  0
 27 28  2  0  0  0
 27 29  1  0  0  0
 28 64  1  0  0  0
 29 32  1  0  0  0
 29 31  1  0  0  0
 29 30  1  0  0  0
 33 36  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3947900

>  <PubChem CID>
51034119

>  <Formula>
C26H28F6N2O2

>  <Molecular Weight>
514.512000

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

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CC(CC2=O)(CCC(C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N2CC(CC2=O)(CCC(C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H28F6N2O2/c1-15(2)8-9-24(13-21(35)34(14-24)22-16(3)6-5-7-17(22)4)23(36)33-20-11-18(25(27,28)29)10-19(12-20)26(30,31)32/h5-7,10-12,15H,8-9,13-14H2,1-4H3,(H,33,36)

>  <InChI Key>
KMCIAVLWVVTBNE-UHFFFAOYSA-N

