
 CHEMBL420997

 57 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL420997

>  <PubChem CID>
9910451

>  <Formula>
C25H25FN6

>  <Molecular Weight>
428.515000

>  <IUPAC Name>
3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propanenitrile

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C=NC(=N1)C2=CC3=C(C=C2)N(C=C3C4CCN(CC4)CCC#N)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
CN1C=NC(=N1)C2=CC3=C(C=C2)N(C=C3C4CCN(CC4)CCC#N)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C25H25FN6/c1-30-17-28-25(29-30)19-3-8-24-22(15-19)23(16-32(24)21-6-4-20(26)5-7-21)18-9-13-31(14-10-18)12-2-11-27/h3-8,15-18H,2,9-10,12-14H2,1H3

>  <InChI Key>
FVDPLVKCBNWFME-UHFFFAOYSA-N

