
 CHEMBL139256

 72 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL139256

>  <PubChem CID>
21994308

>  <Formula>
C28H36F3N3O2

>  <Molecular Weight>
503.610000

>  <IUPAC Name>
N-[2-(4-cyclohexylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)phenyl]acetamide

>  <XlogP>
5.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC=CC=C1C(CNC(=O)CC2=CC=CC=C2C(F)(F)F)N3CCN(CC3)C4CCCCC4

>  <Isomeric SMILES>
COC1=CC=CC=C1C(CNC(=O)CC2=CC=CC=C2C(F)(F)F)N3CCN(CC3)C4CCCCC4

>  <InChI Std. ID>
InChI=1S/C28H36F3N3O2/c1-36-26-14-8-6-12-23(26)25(34-17-15-33(16-18-34)22-10-3-2-4-11-22)20-32-27(35)19-21-9-5-7-13-24(21)28(29,30)31/h5-9,12-14,22,25H,2-4,10-11,15-20H2,1H3,(H,32,35)

>  <InChI Key>
AKHKAZRGQQPVBT-UHFFFAOYSA-N

