-ISIS-  08251614582D

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    3.7917   -1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417    0.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  1  2  0  0  0  0
  4  6  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
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  9  5  1  0  0  0  0
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 12  8  1  0  0  0  0
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  2  4  1  0  0  0  0
 12  7  2  0  0  0  0
 10 14  2  0  0  0  0
 27 26  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <ID> (STK874083)
STK874083

>  <Rotatable_Bonds> (STK874083)
1

>  <logP> (STK874083)
3.259

>  <PSA> (STK874083)
74.09

>  <H_Donors> (STK874083)
1

>  <H_Acceptors> (STK874083)
2

>  <Number_of_rings> (STK874083)
5

>  <NAME> (STK874083)
1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

>  <Mol_Weight> (STK874083)
359.39

>  <Mol_Formula> (STK874083)
C20H17N5O2

>  <Smiles> (STK874083)
c1ccc(cc1)Cn1ncc2c1ncnc2Nc1ccc2c(c1)OCCO2

$$$$