
 CHEMBL116153

 61 65  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL116153

>  <PubChem CID>
10503731

>  <Formula>
C25H28F2N6

>  <Molecular Weight>
450.538000

>  <IUPAC Name>
3-[3-[4-[2-(3,5-difluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CCC5=CC(=CC(=C5)F)F

>  <Isomeric SMILES>
C1CN(CCN1CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CCC5=CC(=CC(=C5)F)F

>  <InChI Std. ID>
InChI=1S/C25H28F2N6/c26-21-12-19(13-22(27)14-21)5-7-32-10-8-31(9-11-32)6-1-2-20-16-28-25-4-3-23(15-24(20)25)33-17-29-30-18-33/h3-4,12-18,28H,1-2,5-11H2

>  <InChI Key>
BLVVWPOJELUFFG-UHFFFAOYSA-N

