-ISIS-  08251614582D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.4000   -1.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.4000   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -2.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -0.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -2.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375    0.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1375   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1333    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3292    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  5  2  0  0  0  0
 10  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12  8  2  0  0  0  0
 13 11  2  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18  8  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
  3  6  1  0  0  0  0
 10  7  2  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <ID> (STK400247)
STK400247

>  <Rotatable_Bonds> (STK400247)
6

>  <logP> (STK400247)
1.007

>  <PSA> (STK400247)
89.61

>  <H_Donors> (STK400247)
1

>  <H_Acceptors> (STK400247)
3

>  <Number_of_rings> (STK400247)
3

>  <NAME> (STK400247)
3-[7-(3-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid

>  <Mol_Weight> (STK400247)
298.30

>  <Mol_Formula> (STK400247)
C15H14N4O3

>  <Smiles> (STK400247)
COc1cccc(c1)c1ccnc2n1nc(n2)CCC(=O)O

$$$$