
 CHEMBL3921777

 67 70  0  0  0  0  0  0  0  0999 V2000
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    1.4479    0.7962   -2.2148 H   0  0  0  0  0
    0.8410    0.4842   -0.5975 H   0  0  0  0  0
    3.6789    0.2306   -1.6668 H   0  0  0  0  0
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    0.3316   -1.9734    2.6670 H   0  0  0  0  0
    1.0411   -0.7278    3.6987 H   0  0  0  0  0
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    1.1505   -3.7604    4.1103 H   0  0  0  0  0
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    4.5263   -1.7770    2.8211 H   0  0  0  0  0
    2.9902   -3.0812    1.0355 H   0  0  0  0  0
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    5.6594   -7.8883   -0.8833 H   0  0  0  0  0
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    3.4800    1.9706    3.2159 H   0  0  0  0  0
    4.3136    2.9416    4.4160 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
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  3  5  1  0  0  0
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 38 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3921777

>  <PubChem CID>
89799785

>  <Formula>
C27H29ClF5N3O2

>  <Molecular Weight>
557.990000

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

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1C(=O)N(CC1(CN2CCC(CC2)(F)F)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)Cl)C4=C(C=CC=C4C)C

>  <Isomeric SMILES>
C[C@@H]1C(=O)N(C[C@@]1(CN2CCC(CC2)(F)F)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)Cl)C4=C(C=CC=C4C)C

>  <InChI Std. ID>
InChI=1S/C27H29ClF5N3O2/c1-16-5-4-6-17(2)22(16)36-15-25(18(3)23(36)37,14-35-9-7-26(29,30)8-10-35)24(38)34-21-12-19(27(31,32)33)11-20(28)13-21/h4-6,11-13,18H,7-10,14-15H2,1-3H3,(H,34,38)/t18-,25-/m1/s1

>  <InChI Key>
LBETUEGDHGVQRO-IQGLISFBSA-N

