-ISIS-  08091621332D

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    2.5042    3.8333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.3000    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  2  0  0  0  0
  4  5  1  0  0  0  0
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 20 17  1  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <ID> (BBL000894)
BBL000894

>  <Rotatable_Bonds> (BBL000894)
2

>  <logP> (BBL000894)
3.566

>  <PSA> (BBL000894)
108.89

>  <H_Donors> (BBL000894)
0

>  <H_Acceptors> (BBL000894)
3

>  <Number_of_rings> (BBL000894)
3

>  <NAME> (BBL000894)
N-(3-chloro-4-methylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]-N-methylthiophene-3-sulfonamide

>  <Mol_Weight> (BBL000894)
423.94

>  <Mol_Formula> (BBL000894)
C18H18ClN3O3S2

>  <Smiles> (BBL000894)
Cc1cc(n(n1)C(=O)c1sccc1S(=O)(=O)N(c1ccc(c(c1)Cl)C)C)C

>  <Alternative_identifier> (BBL000894)
MFCD16639682

$$$$