
 CHEMBL194135

 69 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL194135

>  <PubChem CID>
44401146

>  <Formula>
C27H36F3N3

>  <Molecular Weight>
459.601000

>  <IUPAC Name>
2-(4-cyclohexylpiperazin-1-yl)-N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]ethanamine

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCC(CC1)N2CCN(CC2)C(CNCCC3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CCC(CC1)N2CCN(CC2)C(CNCCC3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C27H36F3N3/c28-27(29,30)24-13-11-23(12-14-24)26(21-31-16-15-22-7-3-1-4-8-22)33-19-17-32(18-20-33)25-9-5-2-6-10-25/h1,3-4,7-8,11-14,25-26,31H,2,5-6,9-10,15-21H2

>  <InChI Key>
BRYYHLGRUGDGBG-UHFFFAOYSA-N

