
 CHEMBL3967440

 68 72  0  0  0  0  0  0  0  0999 V2000
    1.7859    0.7998    1.5843 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3967440

>  <PubChem CID>
88954722

>  <Formula>
C28H29F6N3O2

>  <Molecular Weight>
553.549000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CC3(CC(CC3C2=O)N4CCCC4)C(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N2CC3(CC(CC3C2=O)N4CCCC4)C(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C28H29F6N3O2/c1-16-6-5-7-17(2)23(16)37-15-26(14-21(13-22(26)24(37)38)36-8-3-4-9-36)25(39)35-20-11-18(27(29,30)31)10-19(12-20)28(32,33)34/h5-7,10-12,21-22H,3-4,8-9,13-15H2,1-2H3,(H,35,39)

>  <InChI Key>
DMXRVNIKHPDWEZ-UHFFFAOYSA-N

