-ISIS-  08251613272D

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    1.7250    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7417   -1.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167    2.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8542   -2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4500    2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  2  1  0  0  0  0
  9 10  1  0  0  0  0
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 17  6  1  0  0  0  0
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 22 19  1  0  0  0  0
 23 24  1  0  0  0  0
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  9  8  2  0  0  0  0
  4  7  1  0  0  0  0
 23 18  2  0  0  0  0
M  END
>  <ID> (STK577040)
STK577040

>  <Rotatable_Bonds> (STK577040)
3

>  <logP> (STK577040)
4.873

>  <PSA> (STK577040)
84.22

>  <H_Donors> (STK577040)
4

>  <H_Acceptors> (STK577040)
2

>  <Number_of_rings> (STK577040)
3

>  <NAME> (STK577040)
1-amino-2-[(2-methylpropyl)amino]-4-(propan-2-ylamino)anthracene-9,10-dione

>  <Mol_Weight> (STK577040)
351.45

>  <Mol_Formula> (STK577040)
C21H25N3O2

>  <Smiles> (STK577040)
CC(CNc1cc(NC(C)C)c2c(c1N)C(=O)c1c(C2=O)cccc1)C

$$$$