
 OpenBabel04291915423D

 38 40  0  0  0  0  0  0  0  0999 V2000
   16.4729   -4.9047   -4.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3197   -4.2027   -3.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0667   -4.5704   -3.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0218   -3.9343   -3.4081 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2297   -2.9305   -2.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1847   -2.2944   -1.9868 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5277   -3.1989   -2.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5770   -2.5351   -2.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7849   -1.5312   -1.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3225   -1.0800   -0.9512 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.2759    0.1659    0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5876   -3.1502   -2.7392 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3684    0.9678    0.8219 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8339    1.9643    1.6824 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0408    2.1354    1.8275 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8955    2.7935    2.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3432    3.7518    3.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4705    4.5229    3.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9181    5.4812    4.7253 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0455    6.2523    5.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5752    2.6064    2.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1750   -4.6371   -4.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1168   -5.6685   -4.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0696   -5.3477   -3.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0649   -4.2047   -4.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9069   -5.3419   -4.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2852   -1.9133   -1.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4155   -2.7994   -2.4387 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9819   -1.0424   -0.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4005    0.8306    0.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3578    3.8956    3.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4559    4.3791    3.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9328    5.6250    4.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7355    6.9966    6.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8777    2.0302    1.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8189   -5.4008   -4.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7708   -5.0804   -3.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7678   -3.9376   -4.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4 22  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
>  <SKU>
A13872

>  <Product Name>
INH1

>  <CAS>
313553-47-8

>  <M.Wt>
308.39744

>  <Formula>
C18H16N2OS

>  <Synonyms>
Hec1/Nek2 Mitotic Pathway Inhibitor I

>  <URL>
https://www.adooq.com/inh1.html

$$$$
