
 CHEMBL3983300

 73 76  0  0  0  0  0  0  0  0999 V2000
    2.1650   -0.6602   -0.3187 C   0  0  0  0  0
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    3.4030   -1.2099    1.3256 H   0  0  0  0  0
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    2.0263    2.0038    1.3091 H   0  0  0  0  0
    5.0754   -0.1124    2.4155 H   0  0  0  0  0
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    3.1984    0.7180    6.3837 H   0  0  0  0  0
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    3.0519    5.2837    2.0216 H   0  0  0  0  0
    1.3260    5.6021    2.2016 H   0  0  0  0  0
    4.2657    3.4312    0.8727 H   0  0  0  0  0
    4.5658    5.6543    0.4882 H   0  0  0  0  0
    4.0825    7.2356   -3.4704 H   0  0  0  0  0
    3.8880    2.9963   -2.8355 H   0  0  0  0  0
    5.4331    8.3039   -0.9475 H   0  0  0  0  0
    4.1777    7.9550    0.2385 H   0  0  0  0  0
    4.5737   10.8319   -1.3400 H   0  0  0  0  0
    3.8977   10.2749    0.2013 H   0  0  0  0  0
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    1.6942   10.2321   -2.9652 H   0  0  0  0  0
    1.7952    8.0081   -2.2399 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3983300

>  <PubChem CID>
51034454

>  <Formula>
C29H33F6N3O2

>  <Molecular Weight>
569.592000

>  <IUPAC Name>
(3S,4S)-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-5-oxo-N-[3-(trifluoromethyl)-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidine-3-carboxamide

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC1(CN(C(=O)C1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)CN4CCCC4C(F)(F)F

>  <Isomeric SMILES>
CC[C@]1(CN(C(=O)[C@H]1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)CN4CCCC4C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C29H33F6N3O2/c1-5-27(16-38(25(39)19(27)4)24-17(2)8-6-9-18(24)3)26(40)36-22-13-20(12-21(14-22)28(30,31)32)15-37-11-7-10-23(37)29(33,34)35/h6,8-9,12-14,19,23H,5,7,10-11,15-16H2,1-4H3,(H,36,40)/t19-,23?,27-/m1/s1

>  <InChI Key>
FXVNNKUNPPJLND-XODLJYGDSA-N

