
 CHEMBL1199153

 53 57  0  0  0  0  0  0  0  0999 V2000
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    0.1678   -1.6555   -2.2842 H   0  0  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1199153

>  <PubChem CID>
46887914

>  <Formula>
C21H25FN6

>  <Molecular Weight>
380.471000

>  <IUPAC Name>
7-[(4-fluorophenyl)methyl]-5-piperidin-1-yl-2,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridin-1-amine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCN(CC1)C2=NC3=NNC(=C3C4=C2CN(CC4)CC5=CC=C(C=C5)F)N

>  <Isomeric SMILES>
C1CCN(CC1)C2=NC3=NNC(=C3C4=C2CN(CC4)CC5=CC=C(C=C5)F)N

>  <InChI Std. ID>
InChI=1S/C21H25FN6/c22-15-6-4-14(5-7-15)12-27-11-8-16-17(13-27)21(28-9-2-1-3-10-28)24-20-18(16)19(23)25-26-20/h4-7H,1-3,8-13H2,(H3,23,24,25,26)

>  <InChI Key>
CZXWFPDCLBUEGE-UHFFFAOYSA-N

