
 CHEMBL235358

 82 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL235358

>  <PubChem CID>
44434764

>  <Formula>
C33H43ClFN3O

>  <Molecular Weight>
552.175000

>  <IUPAC Name>
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[2-(2-chloro-6-fluorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide

>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC(CCC1CC2CCC(CC2)N(CCC3=C(C=CC=C3Cl)F)C(=O)CCCC4=CNC5=CC=CC=C54)N

>  <Isomeric SMILES>
C1CC(CCC1CC2CCC(CC2)N(CCC3=C(C=CC=C3Cl)F)C(=O)CCCC4=CNC5=CC=CC=C54)N

>  <InChI Std. ID>
InChI=1S/C33H43ClFN3O/c34-30-7-4-8-31(35)29(30)19-20-38(27-17-13-24(14-18-27)21-23-11-15-26(36)16-12-23)33(39)10-3-5-25-22-37-32-9-2-1-6-28(25)32/h1-2,4,6-9,22-24,26-27,37H,3,5,10-21,36H2

>  <InChI Key>
CUTNJBIQWQWFPF-UHFFFAOYSA-N

