-ISIS-  02181315362D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    0.4750   -0.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.2125   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458   -2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1167   -1.8083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1167   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2458    0.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2125   -2.3208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    2.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6125   -2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0792   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3417    2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3417    1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  3  0  0  0  0
 10  4  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
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 15  3  1  0  0  0  0
 16 20  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 14  2  0  0  0  0
 22 14  1  0  0  0  0
  4  6  1  0  0  0  0
 16 19  2  0  0  0  0
 11 10  1  0  0  0  0
M  END
>  <ID> (STK040722)
STK040722

>  <Supplier> (STK040722)
VitasMLab

>  <collection> (STK040722)
HTS-Compound

>  <Rotatable_Bonds> (STK040722)
0

>  <logP> (STK040722)
0.889

>  <PSA> (STK040722)
89

>  <H_Donors> (STK040722)
2

>  <H_Acceptors> (STK040722)
2

>  <Number_of_rings> (STK040722)
3

>  <NAME> (STK040722)
2-amino-7,7-dimethyl-5-oxo-4-(pyridin-4-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

>  <Mol_Weight> (STK040722)
295.34

>  <Mol_Weight> (STK040722)
295.3439

>  <Mol_Formula> (STK040722)
C17H17N3O2

$$$$