
 CHEMBL1098433

 52 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1098433

>  <PubChem CID>
46887825

>  <Formula>
C20H25N7

>  <Molecular Weight>
363.469000

>  <IUPAC Name>
7-benzyl-5-piperazin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CC2=C1C3=C(NN=C3N=C2N4CCNCC4)N)CC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CC2=C1C3=C(NN=C3N=C2N4CCNCC4)N)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C20H25N7/c21-18-17-15-6-9-26(12-14-4-2-1-3-5-14)13-16(15)20(23-19(17)25-24-18)27-10-7-22-8-11-27/h1-5,22H,6-13H2,(H3,21,23,24,25)

>  <InChI Key>
DBTYVHTVNGKJBW-UHFFFAOYSA-N

