
 CHEMBL3930907

 61 63  0  0  0  0  0  0  0  0999 V2000
    3.8978    1.5058   -4.0543 C   0  0  0  0  0
    3.3841    1.6550   -2.6304 C   0  0  0  0  0
    4.1788    2.7077   -1.8547 C   0  0  0  0  0
    3.7125    2.7909   -0.3910 C   0  0  0  0  0
    4.4882    3.8240    0.4703 C   0  0  0  0  0
    4.3303    5.2439   -0.0972 C   0  0  0  0  0
    4.2076    6.1266    1.1231 C   0  0  0  0  0
    4.2736    7.3446    1.0902 O   0  0  0  0  0
    4.0804    5.3057    2.2432 N   0  0  0  0  0
    3.8633    3.9282    1.8635 C   0  0  0  0  0
    3.6296    5.7693    3.5023 C   0  0  0  0  0
    4.4673    5.5931    4.6281 C   0  0  0  0  0
    4.0436    6.0640    5.8809 C   0  0  0  0  0
    2.8068    6.6818    6.0276 C   0  0  0  0  0
    1.9737    6.8357    4.9239 C   0  0  0  0  0
    2.3657    6.3845    3.6517 C   0  0  0  0  0
    1.3790    6.5232    2.5234 C   0  0  0  0  0
    5.8452    4.9981    4.5283 C   0  0  0  0  0
    5.9660    3.3865    0.6255 C   0  0  0  0  0
    6.3024    2.2354    0.3547 O   0  0  0  0  0
    6.8213    4.3362    1.1618 N   0  0  0  0  0
    8.2201    4.2271    1.3303 C   0  0  0  0  0
    8.8702    5.2727    1.9992 C   0  0  0  0  0
   10.2587    5.2482    2.2143 C   0  0  0  0  0
   11.0000    4.1567    1.7370 C   0  0  0  0  0
   10.3718    3.1088    1.0499 C   0  0  0  0  0
    8.9808    3.1580    0.8540 C   0  0  0  0  0
   11.1554    1.9340    0.5135 C   0  0  0  0  0
   10.7517    0.7489    1.0464 F   0  0  0  0  0
   11.0391    1.8028   -0.8363 F   0  0  0  0  0
   12.4918    2.0192    0.7650 F   0  0  0  0  0
   10.9534    6.3624    2.9603 C   0  0  0  0  0
   11.4538    5.9466    4.1558 F   0  0  0  0  0
   12.0077    6.8738    2.2682 F   0  0  0  0  0
   10.1406    7.4176    3.2409 F   0  0  0  0  0
    4.9406    1.1719   -4.0609 H   0  0  0  0  0
    3.3023    0.7647   -4.5968 H   0  0  0  0  0
    3.8375    2.4545   -4.5967 H   0  0  0  0  0
    3.4521    0.6854   -2.1237 H   0  0  0  0  0
    2.3248    1.9355   -2.6563 H   0  0  0  0  0
    4.0587    3.6804   -2.3450 H   0  0  0  0  0
    5.2436    2.4569   -1.9044 H   0  0  0  0  0
    3.7918    1.7967    0.0687 H   0  0  0  0  0
    2.6434    3.0427   -0.3863 H   0  0  0  0  0
    3.4083    5.3628   -0.6766 H   0  0  0  0  0
    5.1870    5.5565   -0.7013 H   0  0  0  0  0
    4.3123    3.2454    2.5908 H   0  0  0  0  0
    2.7815    3.7498    1.8353 H   0  0  0  0  0
    4.6855    5.9632    6.7539 H   0  0  0  0  0
    2.4922    7.0456    7.0024 H   0  0  0  0  0
    1.0056    7.3126    5.0643 H   0  0  0  0  0
    1.0688    5.5343    2.1715 H   0  0  0  0  0
    1.7925    7.0978    1.6927 H   0  0  0  0  0
    0.4748    7.0515    2.8463 H   0  0  0  0  0
    5.8261    4.0252    4.0322 H   0  0  0  0  0
    6.2853    4.8352    5.5182 H   0  0  0  0  0
    6.5019    5.6805    3.9823 H   0  0  0  0  0
    6.4105    5.1841    1.5358 H   0  0  0  0  0
    8.2985    6.1253    2.3656 H   0  0  0  0  0
   12.0791    4.1283    1.8993 H   0  0  0  0  0
    8.5215    2.3369    0.3086 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
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  4 44  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 45  1  0  0  0
  6 46  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 47  1  0  0  0
 10 48  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 18  1  0  0  0
 13 14  2  0  0  0
 13 49  1  0  0  0
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 15 16  2  0  0  0
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 16 17  1  0  0  0
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 19 21  1  0  0  0
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 21 22  1  0  0  0
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 24 32  1  0  0  0
 25 26  1  0  0  0
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 26 27  2  0  0  0
 26 28  1  0  0  0
 27 61  1  0  0  0
 28 31  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 32 35  1  0  0  0
 32 34  1  0  0  0
 32 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3930907

>  <PubChem CID>
51034222

>  <Formula>
C25H26F6N2O2

>  <Molecular Weight>
500.485000

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

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCCC1(CC(=O)N(C1)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CCCCC1(CC(=O)N(C1)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C25H26F6N2O2/c1-4-5-9-23(13-20(34)33(14-23)21-15(2)7-6-8-16(21)3)22(35)32-19-11-17(24(26,27)28)10-18(12-19)25(29,30)31/h6-8,10-12H,4-5,9,13-14H2,1-3H3,(H,32,35)

>  <InChI Key>
IIBOKHSAGMAVIC-UHFFFAOYSA-N

