
 CHEMBL398000

 80 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL398000

>  <PubChem CID>
44425635

>  <Formula>
C33H38F6N2O

>  <Molecular Weight>
592.670000

>  <IUPAC Name>
(1R,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(2-methylpropyl)-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide

>  <XlogP>
8.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1CN(CCC12C=CC3=CC=CC=C23)C4CCC(C4)(CC(C)C)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
C[C@H]1CN(CC[C@]12C=CC3=CC=CC=C23)[C@@H]4CC[C@](C4)(CC(C)C)C(=O)NCC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C33H38F6N2O/c1-21(2)17-30(29(42)40-19-23-14-25(32(34,35)36)16-26(15-23)33(37,38)39)10-9-27(18-30)41-13-12-31(22(3)20-41)11-8-24-6-4-5-7-28(24)31/h4-8,11,14-16,21-22,27H,9-10,12-13,17-20H2,1-3H3,(H,40,42)/t22-,27+,30+,31+/m0/s1

>  <InChI Key>
KURSPQDVVXDVFX-DUBVAAOESA-N

