-ISIS-  08091621332D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   -0.7042   -0.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2792    1.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0792    2.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3167    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1417    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750    0.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1375    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7375   -1.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
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  4 12  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
>  <ID> (BBL000956)
BBL000956

>  <Rotatable_Bonds> (BBL000956)
2

>  <logP> (BBL000956)
2.82

>  <PSA> (BBL000956)
84.74

>  <H_Donors> (BBL000956)
1

>  <H_Acceptors> (BBL000956)
2

>  <Number_of_rings> (BBL000956)
3

>  <NAME> (BBL000956)
3-ethyl-N-(4-ethylphenyl)[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

>  <Mol_Weight> (BBL000956)
330.41

>  <Mol_Formula> (BBL000956)
C16H18N4O2S

>  <Smiles> (BBL000956)
CCc1ccc(cc1)NS(=O)(=O)c1cccn2c1nnc2CC

>  <Alternative_identifier> (BBL000956)
MFCD18804112

$$$$