
 CHEMBL299385

 58 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL299385

>  <PubChem CID>
22393362

>  <Formula>
C23H27F4N3O

>  <Molecular Weight>
437.483000

>  <IUPAC Name>
1-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]urea

>  <XlogP>
5.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCC1CC2=CC=C(C=C2)F)CCCNC(=O)NC3=CC=CC=C3C(F)(F)F

>  <Isomeric SMILES>
C1CN(CCC1CC2=CC=C(C=C2)F)CCCNC(=O)NC3=CC=CC=C3C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C23H27F4N3O/c24-19-8-6-17(7-9-19)16-18-10-14-30(15-11-18)13-3-12-28-22(31)29-21-5-2-1-4-20(21)23(25,26)27/h1-2,4-9,18H,3,10-16H2,(H2,28,29,31)

>  <InChI Key>
BKGDSYCWICQSPA-UHFFFAOYSA-N

