
 CHEMBL3589951

 72 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3589951

>  <PubChem CID>
122181237

>  <Formula>
C31H31F5N2O3

>  <Molecular Weight>
574.592000

>  <IUPAC Name>
2-(4-fluorophenyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-(6-hydroxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butanamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1COC2(CCN(CC2)CCC(C3=CC=C(C=C3)F)C(=O)NCC4=CC(=CC(=C4)F)C(F)(F)F)C5=C1C=C(C=C5)O

>  <Isomeric SMILES>
C1COC2(CCN(CC2)CCC(C3=CC=C(C=C3)F)C(=O)NCC4=CC(=CC(=C4)F)C(F)(F)F)C5=C1C=C(C=C5)O

>  <InChI Std. ID>
InChI=1S/C31H31F5N2O3/c32-24-3-1-21(2-4-24)27(29(40)37-19-20-15-23(31(34,35)36)18-25(33)16-20)7-11-38-12-9-30(10-13-38)28-6-5-26(39)17-22(28)8-14-41-30/h1-6,15-18,27,39H,7-14,19H2,(H,37,40)

>  <InChI Key>
PEAXKZJSQUEGLG-UHFFFAOYSA-N

