
 CHEMBL195291

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL195291

>  <PubChem CID>
44401037

>  <Formula>
C26H33F3N4O

>  <Molecular Weight>
474.572000

>  <IUPAC Name>
1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCC(CC1)N2CCN(CC2)C(CNC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CCC(CC1)N2CCN(CC2)C(CNC(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H33F3N4O/c27-26(28,29)21-13-11-20(12-14-21)24(19-30-25(34)31-22-7-3-1-4-8-22)33-17-15-32(16-18-33)23-9-5-2-6-10-23/h1,3-4,7-8,11-14,23-24H,2,5-6,9-10,15-19H2,(H2,30,31,34)

>  <InChI Key>
AHHOJFQACICXEL-UHFFFAOYSA-N

