-ISIS-  08251614182D

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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6 18  1  0  0  0  0
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 16 14  1  0  0  0  0
 35 21  1  0  0  0  0
 17 23  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <ID> (STK545721)
STK545721

>  <Rotatable_Bonds> (STK545721)
7

>  <logP> (STK545721)
-0.42

>  <PSA> (STK545721)
170.64

>  <H_Donors> (STK545721)
3

>  <H_Acceptors> (STK545721)
3

>  <Number_of_rings> (STK545721)
5

>  <NAME> (STK545721)
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-5-[(4-methylpiperazin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

>  <Mol_Weight> (STK545721)
627.50

>  <Mol_Formula> (STK545721)
C25H31BrN12O3

>  <Smiles> (STK545721)
COc1ccc(cc1Cn1nc(c(c1C)Br)C)/C=N/NC(=O)c1nnn(c1CN1CCN(CC1)C)c1nonc1N

$$$$