
 OpenBabel04291915483D

 55 60  0  0  0  0  0  0  0  0999 V2000
   11.1881    0.4664    5.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4708    0.3698    4.7411 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1202    0.2835    3.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4488    0.1930    2.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1058    0.1919    2.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2163    0.3688    4.7412 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1707    0.0970    1.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4993    0.0066    0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1707   -0.0827   -1.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4993   -0.1731   -2.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1707   -0.2624   -3.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5137   -0.2613   -3.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1630   -0.1738   -2.3035 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5137   -0.0816   -1.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1851    0.0088    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5137    0.0981    1.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4993   -0.3528   -4.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1707   -0.4421   -5.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4993   -0.5325   -6.9033 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1131   -0.6142   -7.9633 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2005   -0.1742   -2.2651 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023   -0.0813   -1.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1594   -0.0825   -1.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4879    0.0068    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1450    0.0057    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040   -0.0941   -1.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3917   -0.1825   -2.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1862    0.1009    1.3061 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5827    0.1020    1.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1965    0.0204    0.2460 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3047    0.1992    2.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6187    0.2003    2.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4735    0.0950    1.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1738    0.0091    0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2401    0.4522    5.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9303   -0.3615    6.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9289    1.3806    6.4716 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1522    0.2843    3.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3587    0.1363    1.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4673    0.0057    0.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0297   -0.3299   -4.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2171    0.0097    0.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0297    0.1676    2.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4673   -0.3537   -4.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2027   -0.4413   -5.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6434   -0.1519   -1.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    0.7721   -1.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7896   -0.9700   -1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4681    0.6412   -3.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4993   -0.8865   -3.1296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7887    0.2679    3.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1347    0.1317    1.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1347    0.2698    3.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6488    0.1423    1.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1234    0.0411    0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3 38  1  0  0  0  0
  4  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 39  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 17  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  2  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  2  0  0  0  0
 24 28  1  0  0  0  0
 25 33  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 29 31  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  2  0  0  0  0
 31 51  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 33 34  2  0  0  0  0
 33 54  1  0  0  0  0
 34 55  1  0  0  0  0
M  END
>  <SKU>
A16263

>  <Product Name>
QL47

>  <CAS>
1469988-75-7

>  <M.Wt>
447.48794

>  <Formula>
C27H21N5O2

>  <Synonyms>
BTK Inhibitor, QL 47, QL-47

>  <URL>
https://www.adooq.com/ql47.html

$$$$
