-ISIS-  08251614582D

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    5.2333   -0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
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  6  3  1  0  0  0  0
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  9  8  1  0  0  0  0
 10 13  1  0  0  0  0
 11  2  1  0  0  0  0
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 18  5  1  0  0  0  0
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 26 20  1  0  0  0  0
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  4  5  2  0  0  0  0
  6 10  2  0  0  0  0
 28 26  2  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <ID> (STL403822)
STL403822

>  <Rotatable_Bonds> (STL403822)
3

>  <logP> (STL403822)
5.109

>  <PSA> (STL403822)
59.81

>  <H_Donors> (STL403822)
1

>  <H_Acceptors> (STL403822)
1

>  <Number_of_rings> (STL403822)
4

>  <NAME> (STL403822)
N-(2-chlorobenzyl)-3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

>  <Mol_Weight> (STL403822)
390.87

>  <Mol_Formula> (STL403822)
C22H19ClN4O

>  <Smiles> (STL403822)
Cc1cc(C(=O)NCc2ccccc2Cl)c2c(n1)n(nc2C)c1ccccc1

$$$$