
 CHEMBL287671

 52 56  0  0  0  0  0  0  0  0999 V2000
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  7 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL287671

>  <PubChem CID>
44278111

>  <Formula>
C24H24N4

>  <Molecular Weight>
368.484000

>  <IUPAC Name>
3-[[4-(4-phenylphenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)

>  <InChI Key>
KGZWRXWYLPRJCF-UHFFFAOYSA-N

