
 CHEMBL3977233

 64 66  0  0  0  0  0  0  0  0999 V2000
    1.4548    2.5365    2.6096 C   0  0  0  0  0
    2.5669    1.8459    1.8230 C   0  0  0  0  0
    3.8932    2.6651    1.6207 C   0  0  0  0  0
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    4.9451    1.8455    0.7103 C   0  0  0  0  0
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    7.3532    1.5901    1.0159 C   0  0  0  0  0
    8.5495    1.8337    0.9750 O   0  0  0  0  0
    6.7369    0.4046    1.3917 N   0  0  0  0  0
    5.2950    0.4795    1.3362 C   0  0  0  0  0
    7.3877   -0.6408    2.1109 C   0  0  0  0  0
    8.1909   -0.3643    3.2490 C   0  0  0  0  0
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    8.7204   -2.7303    3.4752 C   0  0  0  0  0
    7.8961   -3.0133    2.3945 C   0  0  0  0  0
    7.2372   -1.9854    1.6926 C   0  0  0  0  0
    6.4226   -2.3991    0.4978 C   0  0  0  0  0
    8.3558    1.0060    3.8561 C   0  0  0  0  0
    4.4092    1.5980   -0.7378 C   0  0  0  0  0
    3.2805    1.9514   -1.0707 O   0  0  0  0  0
    5.2766    0.9448   -1.6113 N   0  0  0  0  0
    5.0646    0.7387   -2.9965 C   0  0  0  0  0
    5.9557   -0.0998   -3.6758 C   0  0  0  0  0
    5.8061   -0.3588   -5.0525 C   0  0  0  0  0
    4.7521    0.2514   -5.7531 C   0  0  0  0  0
    3.8620    1.1102   -5.0982 C   0  0  0  0  0
    4.0327    1.3438   -3.7226 C   0  0  0  0  0
    2.7299    1.7900   -5.8338 C   0  0  0  0  0
    1.5075    1.4471   -5.3439 F   0  0  0  0  0
    2.8012    3.1472   -5.7599 F   0  0  0  0  0
    2.6955    1.4916   -7.1624 F   0  0  0  0  0
    6.7474   -1.2839   -5.7865 C   0  0  0  0  0
    6.1033   -2.3597   -6.3170 F   0  0  0  0  0
    7.3717   -0.6691   -6.8279 F   0  0  0  0  0
    7.7358   -1.7893   -4.9991 F   0  0  0  0  0
    0.5805    1.8783    2.6616 H   0  0  0  0  0
    1.1332    3.4646    2.1290 H   0  0  0  0  0
    1.7556    2.7547    3.6373 H   0  0  0  0  0
    2.1329    1.5637    0.8607 H   0  0  0  0  0
    2.7884    0.9022    2.3340 H   0  0  0  0  0
    2.9421    3.9644    0.1002 H   0  0  0  0  0
    4.4849    4.5815    0.6968 H   0  0  0  0  0
    3.0425    4.6963    1.6895 H   0  0  0  0  0
    4.6396    2.0448    3.6123 H   0  0  0  0  0
    3.8076    3.5925    3.6202 H   0  0  0  0  0
    5.4306    3.4960    2.9937 H   0  0  0  0  0
    6.4012    3.4635    1.2019 H   0  0  0  0  0
    6.5284    2.8831   -0.4514 H   0  0  0  0  0
    4.8883   -0.3437    0.7463 H   0  0  0  0  0
    4.9237    0.3574    2.3564 H   0  0  0  0  0
    9.5117   -1.2105    4.7507 H   0  0  0  0  0
    9.2446   -3.5317    3.9893 H   0  0  0  0  0
    7.7897   -4.0497    2.0793 H   0  0  0  0  0
    6.5494   -1.6946   -0.3292 H   0  0  0  0  0
    5.3662   -2.4769    0.7707 H   0  0  0  0  0
    6.7399   -3.3775    0.1207 H   0  0  0  0  0
    7.4422    1.6000    3.7632 H   0  0  0  0  0
    9.1978    1.5326    3.3995 H   0  0  0  0  0
    8.5559    0.9307    4.9323 H   0  0  0  0  0
    6.1239    0.5384   -1.2272 H   0  0  0  0  0
    6.7757   -0.5760   -3.1393 H   0  0  0  0  0
    4.6302    0.0558   -6.8200 H   0  0  0  0  0
    3.3360    2.0325   -3.2504 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  1  0  0  0
  2 40  1  0  0  0
  2 41  1  0  0  0
  3  6  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  4 42  1  0  0  0
  4 43  1  0  0  0
  4 44  1  0  0  0
  5 45  1  0  0  0
  5 46  1  0  0  0
  5 47  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7 48  1  0  0  0
  7 49  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
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 12 13  2  0  0  0
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 20 22  1  0  0  0
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 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
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 33 36  1  0  0  0
 33 35  1  0  0  0
 33 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3977233

>  <PubChem CID>
51034116

>  <Formula>
C26H28F6N2O2

>  <Molecular Weight>
514.512000

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

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC(C)(C)C1(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>
CCC(C)(C)C1(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/C26H28F6N2O2/c1-6-23(4,5)24(13-20(35)34(14-24)21-15(2)8-7-9-16(21)3)22(36)33-19-11-17(25(27,28)29)10-18(12-19)26(30,31)32/h7-12H,6,13-14H2,1-5H3,(H,33,36)

>  <InChI Key>
IJZIHLPMMHPRLW-UHFFFAOYSA-N

