
 CHEMBL3890766

 59 61  0  0  0  0  0  0  0  0999 V2000
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    4.0963   -3.1050   -0.9209 O   0  0  0  0  0
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    3.1648   -6.8914   -6.4661 C   0  0  0  0  0
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    4.0512   -7.8607   -6.8243 F   0  0  0  0  0
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    4.9746    0.6597    1.2776 H   0  0  0  0  0
    0.3186    0.7125    4.7885 H   0  0  0  0  0
    2.4301    1.9640    4.9369 H   0  0  0  0  0
    4.2640    1.5052    3.3601 H   0  0  0  0  0
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   -0.8913   -1.1294    4.0655 H   0  0  0  0  0
    2.1669   -3.4658    2.3006 H   0  0  0  0  0
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    5.2150   -3.4975   -2.7995 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
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  1 38  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
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  4  8  1  0  0  0
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  9 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3890766

>  <PubChem CID>
51034566

>  <Formula>
C25H24F6N2O2

>  <Molecular Weight>
498.469000

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

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

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

>  <InChI Std. ID>
InChI=1S/C25H24F6N2O2/c1-14(2)11-23(12-20(34)33(13-23)21-15(3)6-5-7-16(21)4)22(35)32-19-9-17(24(26,27)28)8-18(10-19)25(29,30)31/h5-10H,1,11-13H2,2-4H3,(H,32,35)

>  <InChI Key>
ILQUGNGBJUKKCV-UHFFFAOYSA-N

