-ISIS-  08251614012D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    2.3833   -1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4625    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0833    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7583   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6958   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  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  4  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  2  0  0  0  0
 17  8  2  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 15  2  0  0  0  0
 21 14  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
 24 19  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 25  1  0  0  0  0
 12 13  2  0  0  0  0
 24 20  1  0  0  0  0
  6  7  2  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <ID> (STK911181)
STK911181

>  <Rotatable_Bonds> (STK911181)
4

>  <logP> (STK911181)
2.741

>  <PSA> (STK911181)
128.37

>  <H_Donors> (STK911181)
3

>  <H_Acceptors> (STK911181)
3

>  <Number_of_rings> (STK911181)
4

>  <NAME> (STK911181)
3-(2-hydroxy-4-methylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide

>  <Mol_Weight> (STK911181)
380.43

>  <Mol_Formula> (STK911181)
C19H16N4O3S

>  <Smiles> (STK911181)
COc1ccc2c(c1)sc(n2)NC(=O)c1[nH]nc(c1)c1ccc(cc1O)C

$$$$