
 CHEMBL1098098

 51 55  0  0  0  0  0  0  0  0999 V2000
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    4.6533   -0.2781    1.3890 C   0  0  0  0  0
    6.1854   -0.3730    1.2806 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1098098

>  <PubChem CID>
3288900

>  <Formula>
C20H24N6O

>  <Molecular Weight>
364.453000

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

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CC2=C1C3=C(NN=C3N=C2N4CCOCC4)N)CC5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CC2=C1C3=C(NN=C3N=C2N4CCOCC4)N)CC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C20H24N6O/c21-18-17-15-6-7-25(12-14-4-2-1-3-5-14)13-16(15)20(22-19(17)24-23-18)26-8-10-27-11-9-26/h1-5H,6-13H2,(H3,21,22,23,24)

>  <InChI Key>
FSFMFLKTKIVZGE-UHFFFAOYSA-N

