
 CHEMBL3934878

 56 59  0  0  0  0  0  0  0  0999 V2000
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    3.2327   -2.4131    3.2924 O   0  0  0  0  0
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    5.1716    2.0378    1.6728 H   0  0  0  0  0
    7.5656    1.5350    1.4352 H   0  0  0  0  0
    8.3263   -0.7717    1.0531 H   0  0  0  0  0
    2.4959   -0.0196    0.6860 H   0  0  0  0  0
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  1 38  1  0  0  0
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  2  7  1  0  0  0
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  3  9  1  0  0  0
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  5  6  1  0  0  0
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  9 10  1  0  0  0
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 32 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3934878

>  <PubChem CID>
134148666

>  <Formula>
C24H21F7N2O2

>  <Molecular Weight>
502.433000

>  <IUPAC Name>
(5S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-5-fluoro-3-oxo-3a,4,5,6-tetrahydro-1H-cyclopenta[c]pyrrole-6a-carboxamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CC3(CC(CC3C2=O)F)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N2CC3(C[C@H](CC3C2=O)F)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H21F7N2O2/c1-12-4-3-5-13(2)19(12)33-11-22(10-16(25)9-18(22)20(33)34)21(35)32-17-7-14(23(26,27)28)6-15(8-17)24(29,30)31/h3-8,16,18H,9-11H2,1-2H3,(H,32,35)/t16-,18?,22?/m0/s1

>  <InChI Key>
FHVLLGDBLIJLBG-GENZYMQKSA-N

