
 CHEMBL193592

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL193592

>  <PubChem CID>
44401209

>  <Formula>
C25H27FN4O

>  <Molecular Weight>
418.516000

>  <IUPAC Name>
1-(4-fluorophenyl)-3-[2-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]urea

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H27FN4O/c26-21-11-13-22(14-12-21)28-25(31)27-19-24(20-7-3-1-4-8-20)30-17-15-29(16-18-30)23-9-5-2-6-10-23/h1-14,24H,15-19H2,(H2,27,28,31)

>  <InChI Key>
AYHZXPXNRGUEPG-UHFFFAOYSA-N

