-ISIS-  04261722012D

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    1.3042   -1.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -0.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2958    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7583   -1.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
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 25 26  1  0  0  0  0
 23 20  2  0  0  0  0
M  END
>  <ID> (STL503594)
STL503594

>  <Rotatable_Bonds> (STL503594)
2

>  <logP> (STL503594)
4.277

>  <PSA> (STL503594)
74.86

>  <H_Donors> (STL503594)
1

>  <H_Acceptors> (STL503594)
3

>  <Number_of_rings> (STL503594)
3

>  <Compound_Names> (STL503594)
N-(3-ethylphenyl)-1-[(4-fluorophenyl)sulfonyl]piperidine-2-carboxamide

>  <Mol_Weight> (STL503594)
390.48

>  <Mol_Formula> (STL503594)
C20H23FN2O3S

>  <Smiles> (STL503594)
CCc1cccc(c1)NC(=O)C1CCCCN1S(=O)(=O)c1ccc(cc1)F

$$$$