
 CHEMBL1097471

 58 62  0  0  0  0  0  0  0  0999 V2000
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    2.8902    9.1254   -1.1772 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1097471

>  <PubChem CID>
46888069

>  <Formula>
C23H28N6O

>  <Molecular Weight>
404.518000

>  <IUPAC Name>
1-(1-amino-7-benzyl-5-piperidin-1-yl-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridin-3-yl)ethanone

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)N1C2=NC(=C3CN(CCC3=C2C(=N1)N)CC4=CC=CC=C4)N5CCCCC5

>  <Isomeric SMILES>
CC(=O)N1C2=NC(=C3CN(CCC3=C2C(=N1)N)CC4=CC=CC=C4)N5CCCCC5

>  <InChI Std. ID>
InChI=1S/C23H28N6O/c1-16(30)29-23-20(21(24)26-29)18-10-13-27(14-17-8-4-2-5-9-17)15-19(18)22(25-23)28-11-6-3-7-12-28/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H2,24,26)

>  <InChI Key>
FBEXOKGCNDBGIE-UHFFFAOYSA-N

