
 OpenBabel04291915383D

 40 43  0  0  0  0  0  0  0  0999 V2000
    2.8115    1.7989   -1.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9127    0.8854   -0.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2920   -0.3274    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3656   -1.2180    0.6617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505   -2.3587    1.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4322    3.0117   -1.6996 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0234   -3.1658    1.7498 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3115   -2.8321    1.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9463   -0.8086    0.4390 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6392   -1.6459    0.9083 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9787   -1.2990    0.7196 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8681   -2.0367    1.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176   -0.0724    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6057    0.2612   -0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9209    1.4019   -0.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2090    1.7356   -0.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5242    2.8763   -1.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8123    3.2099   -1.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1275    4.3506   -2.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4156    4.6842   -2.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7308    5.8249   -3.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3447    0.7346   -0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0048   -2.3202    1.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1709   -1.6280    0.8884 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2027    2.1189   -0.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2081    1.2681   -1.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5160    1.4162    0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5215    0.5654   -1.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6886   -0.8582   -0.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6832   -0.0074    0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5280    3.9699   -1.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5801    3.5334   -2.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9260   -1.0543    0.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3534   -0.3590    0.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1732    2.0221   -1.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9567    1.1154   -0.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5600    2.5897   -1.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3798    4.9708   -2.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1632    4.0640   -2.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2880    6.5845   -3.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 23  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 23 24  3  0  0  0  0
M  END
>  <SKU>
A11969

>  <Product Name>
TCS JNK 5a

>  <CAS>
312917-14-9

>  <M.Wt>
332.41884

>  <Formula>
C20H16N2OS

>  <Synonyms>
JNK Inhibitor IX

>  <URL>
https://www.adooq.com/tcs-jnk-5a.html

$$$$
