
 OpenBabel04291915433D

 46 50  0  0  1  0  0  0  0  0999 V2000
    3.7341    8.7333   -0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6711    7.6965   -0.6870 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3332    7.7699   -2.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8607    8.8711   -2.6289 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5646    8.9355   -3.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0760   10.0741   -4.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8937   11.1462   -3.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1999   11.0797   -2.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6884    9.9410   -1.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7469    7.8634   -4.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0244   12.1111   -1.5579 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7698   10.1407   -5.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3232   11.1815   -6.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5096    6.7331   -2.8900 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0176    5.5491   -2.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000    4.4770   -3.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6885    3.3383   -2.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8709    2.2663   -3.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3594    1.1276   -2.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3238    5.4825   -1.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1703    6.3874   -0.3790 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3674    5.2653   -0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8193    4.0801   -0.3160 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0725    3.0366   -0.5167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244    1.8514   -0.2379 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7777    0.8079   -0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1881   -3.6496   -0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348   -2.6061   -0.0817 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4829   -1.4208   -0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2296   -0.3773   -0.1598 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    8.6803    0.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3618    9.7098   -0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6107    8.5398   -0.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7945    7.8901   -0.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5182   12.0212   -4.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9699    9.7278   -0.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8266    7.1397   -5.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9646    4.5281   -4.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9238    3.2872   -1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    2.3174   -4.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6834    0.1478   -2.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329    6.0312   -0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0789    6.2799   -0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1201    3.1492   -0.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8434   -2.7135    0.2818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5305   -1.3082   -0.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 35  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 26 30  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 30  2  0  0  0  0
 29 46  1  0  0  0  0
M  END
>  <SKU>
A14441

>  <Product Name>
Acalisib (GS-9820)

>  <CAS>
870281-34-8

>  <M.Wt>
401.3964432

>  <Formula>
C21H16FN7O

>  <Synonyms>
GS-9820

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

$$$$
