
 CHEMBL3965949

 66 68  0  0  0  0  0  0  0  0999 V2000
    2.2067    2.9218    0.0295 C   0  0  0  0  0
    3.4317    2.0911    0.3844 C   0  0  0  0  0
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   11.4131    0.4725    0.8700 F   0  0  0  0  0
   10.2044    0.2067    2.6590 F   0  0  0  0  0
    3.7027    1.6661    4.0793 C   0  0  0  0  0
    3.0758    2.8022    4.6622 C   0  0  0  0  0
    3.0997    2.9780    6.0610 C   0  0  0  0  0
    3.6751    2.0320    6.8944 C   0  0  0  0  0
    4.2518    0.8991    6.3400 C   0  0  0  0  0
    4.2936    0.7082    4.9430 C   0  0  0  0  0
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    1.8381    2.6694   -0.9695 H   0  0  0  0  0
    2.4551    3.9896    0.0249 H   0  0  0  0  0
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    3.5391   -0.6039    2.3503 H   0  0  0  0  0
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    2.0975    0.1355   -1.2965 H   0  0  0  0  0
    1.1184    0.6204    0.0744 H   0  0  0  0  0
    2.8480   -2.3152   -1.3606 H   0  0  0  0  0
    2.1284   -3.4197   -0.1819 H   0  0  0  0  0
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    5.6398    0.4166    1.5123 H   0  0  0  0  0
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    3.6733    2.1772    7.9712 H   0  0  0  0  0
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    5.6042   -0.3164    3.5715 H   0  0  0  0  0
    4.3043   -1.3319    4.2792 H   0  0  0  0  0
    3.0107    4.6550    3.5665 H   0  0  0  0  0
    1.5600    4.3291    4.5146 H   0  0  0  0  0
    1.8001    3.4369    3.0359 H   0  0  0  0  0
  1  2  1  0  0  0
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  5 33  1  0  0  0
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  7 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3965949

>  <PubChem CID>
89799838

>  <Formula>
C26H26F9N3O2

>  <Molecular Weight>
583.499000

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

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CC1C(=O)N(CC1(CN(C)CC(F)(F)F)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(CN(C)CC(F)(F)F)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/C26H26F9N3O2/c1-14-6-5-7-15(2)20(14)38-12-23(16(3)21(38)39,11-37(4)13-24(27,28)29)22(40)36-19-9-17(25(30,31)32)8-18(10-19)26(33,34)35/h5-10,16H,11-13H2,1-4H3,(H,36,40)/t16-,23-/m1/s1

>  <InChI Key>
KOEWOZJJSTUTKG-WAIKUNEKSA-N

