-ISIS-  08251614012D

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    4.8667    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
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  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
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 14 11  1  0  0  0  0
 15  7  2  0  0  0  0
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 17 14  2  0  0  0  0
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 10  4  1  0  0  0  0
  6  5  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
>  <ID> (STK820825)
STK820825

>  <Rotatable_Bonds> (STK820825)
7

>  <logP> (STK820825)
-1.301

>  <PSA> (STK820825)
178.4

>  <H_Donors> (STK820825)
3

>  <H_Acceptors> (STK820825)
5

>  <Number_of_rings> (STK820825)
3

>  <NAME> (STK820825)
4-{(5Z)-5-[1-(2-amino-2-oxoethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid

>  <Mol_Weight> (STK820825)
405.46

>  <Mol_Formula> (STK820825)
C17H15N3O5S2

>  <Smiles> (STK820825)
OC(=O)CCCN1C(=S)S/C(=C/2\C(=O)N(c3c2cccc3)CC(=O)N)/C1=O

$$$$