-ISIS-  08091621332D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   -1.9083    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2125    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.8708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -1.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    2.5833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5833    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    1.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    3.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5500    1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8583    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8708   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6583   -3.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  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  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
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 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
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 17 14  1  0  0  0  0
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  4  6  2  0  0  0  0
 22 23  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <ID> (BBL000825)
BBL000825

>  <Rotatable_Bonds> (BBL000825)
6

>  <logP> (BBL000825)
3.394

>  <PSA> (BBL000825)
126.9

>  <H_Donors> (BBL000825)
4

>  <H_Acceptors> (BBL000825)
4

>  <Number_of_rings> (BBL000825)
3

>  <NAME> (BBL000825)
N-(2,3-dihydroxypropyl)-2-[(phenylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

>  <Mol_Weight> (BBL000825)
374.46

>  <Mol_Formula> (BBL000825)
C19H22N2O4S

>  <Smiles> (BBL000825)
OCC(CNC(=O)c1c(sc2c1CCCC2)NC(=O)c1ccccc1)O

>  <Alternative_identifier> (BBL000825)
MFCD00377347

$$$$