
 OpenBabel04291915363D

 57 61  0  0  1  0  0  0  0  0999 V2000
    6.1271   -7.5220   23.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0152   -7.3066   22.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0708   -6.8636   21.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1567   -6.6882   20.7734 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8891   -6.6346   20.6102 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9443   -6.1945   19.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5318   -6.0216   18.7119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -5.5553   17.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1777   -5.3823   16.7322 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6603   -4.6541   17.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202   -6.8395   21.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329   -4.9422   15.3680 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1340   -4.7293   14.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1856   -4.3173   13.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3736   -4.1255   12.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427   -4.7631   14.8111 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5954   -4.3623   13.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7834   -4.1704   12.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9197   -4.3906   13.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1077   -4.1988   13.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593   -3.7868   11.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5438   -4.7743   14.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2491   -4.4200   13.7412 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4425   -4.2273   13.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5788   -4.4475   13.8233 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7668   -4.2557   13.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9031   -4.4759   13.9082 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0911   -4.2841   13.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4941   -3.8153   11.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9507   -4.0971   12.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0996   -4.2826   13.3279 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1496   -4.6810   14.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0149   -4.9148   15.2860 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8970   -3.6687   11.4233 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0874   -7.8386   24.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0400   -7.3746   22.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1023   -7.4540   23.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4617   -6.9227   18.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4624   -5.2598   19.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0144   -5.2934   19.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137   -6.9563   18.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1076   -6.2834   16.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1084   -4.6205   17.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3826   -6.1830   22.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3054   -7.7287   21.7521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8231   -3.8538   11.9909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8800   -4.7072   14.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5996   -3.5004   10.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1035   -5.0607   15.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5391   -4.7641   14.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8065   -3.9391   12.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8634   -4.7925   14.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1195   -4.2583   13.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9060   -3.5548   11.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0691   -4.8245   15.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261   -3.5281   10.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7300   -3.5073   10.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  2  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 12  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  2  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 46  1  0  0  0  0
 19 20  2  0  0  0  0
 19 47  1  0  0  0  0
 20 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  2  0  0  0  0
 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  2  0  0  0  0
 28 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 34  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 55  1  0  0  0  0
 34 56  1  0  0  0  0
 34 57  1  0  0  0  0
M  END
>  <SKU>
A11020

>  <Product Name>
PCI-32765 (Ibrutinib)

>  <CAS>
936563-96-1

>  <M.Wt>
440.49706

>  <Formula>
C25H24N6O2

>  <Synonyms>
Ibrutinib

>  <URL>
https://www.adooq.com/pci-32765.html

$$$$
