
 CHEMBL3929292

 55 57  0  0  0  0  0  0  0  0999 V2000
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    5.1337   -4.1699    0.0330 C   0  0  0  0  0
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    5.4779   -5.6731   -3.4572 C   0  0  0  0  0
    4.2206   -6.1201   -3.7239 F   0  0  0  0  0
    5.6514   -4.5530   -4.2099 F   0  0  0  0  0
    6.3232   -6.6060   -3.9787 F   0  0  0  0  0
    7.8601   -6.7246    0.8845 C   0  0  0  0  0
    7.6317   -8.0646    0.8306 F   0  0  0  0  0
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    5.9715    3.3614    3.5930 C   0  0  0  0  0
    5.6188    3.3972    4.9407 C   0  0  0  0  0
    4.5934    2.5832    5.4150 C   0  0  0  0  0
    3.9164    1.7127    4.5496 C   0  0  0  0  0
    2.7963    0.8659    5.0884 C   0  0  0  0  0
    5.7183    2.5246    1.2510 C   0  0  0  0  0
    0.6955   -1.1048   -0.3809 H   0  0  0  0  0
    0.4737    0.6501   -0.3427 H   0  0  0  0  0
    0.2368   -0.2830    1.1285 H   0  0  0  0  0
    2.8497    0.2582   -0.3722 H   0  0  0  0  0
    5.0384   -0.3127    1.3012 H   0  0  0  0  0
    4.5363   -1.0218    2.8575 H   0  0  0  0  0
    1.6245   -1.2752    2.9202 H   0  0  0  0  0
    2.7169   -2.6570    2.8602 H   0  0  0  0  0
    1.3836   -2.5535    1.7158 H   0  0  0  0  0
    4.6191   -3.1362    1.7404 H   0  0  0  0  0
    6.2138   -4.7547    1.8136 H   0  0  0  0  0
    7.2310   -6.9357   -1.7511 H   0  0  0  0  0
    4.2312   -3.8742   -1.9190 H   0  0  0  0  0
    6.7680    4.0147    3.2422 H   0  0  0  0  0
    6.1355    4.0708    5.6197 H   0  0  0  0  0
    4.3201    2.6382    6.4665 H   0  0  0  0  0
    2.9865   -0.1934    4.8905 H   0  0  0  0  0
    1.8462    1.1594    4.6310 H   0  0  0  0  0
    2.6926    0.9790    6.1727 H   0  0  0  0  0
    6.3064    1.6321    1.0192 H   0  0  0  0  0
    6.3359    3.4001    1.0220 H   0  0  0  0  0
    4.8478    2.5729    0.5905 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  7  1  0  0  0
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  2 37  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  8 40  1  0  0  0
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  8 42  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3929292

>  <PubChem CID>
51035113

>  <Formula>
C23H22F6N2O2

>  <Molecular Weight>
472.431000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1C(=O)N(CC1(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(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/C23H22F6N2O2/c1-12-6-5-7-13(2)18(12)31-11-21(4,14(3)19(31)32)20(33)30-17-9-15(22(24,25)26)8-16(10-17)23(27,28)29/h5-10,14H,11H2,1-4H3,(H,30,33)/t14-,21+/m1/s1

>  <InChI Key>
AODSSYQJXRAKCV-SZNDQCEHSA-N

