
 OpenBabel04291915373D

 50 53  0  0  0  0  0  0  0  0999 V2000
    0.9585   -9.1344   -4.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785   -9.1344   -4.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9518  -10.3422   -4.9396 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3718  -10.3422   -4.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8785  -11.6351   -5.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4685   -7.8841   -3.7643 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0015   -7.8841   -3.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082   -6.5912   -3.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9427   -6.5912   -3.1461 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920   -5.5765   -2.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9350   -5.5765   -2.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6064   -4.5272   -2.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9493   -4.5272   -2.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6208   -3.4780   -1.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9206   -4.5272   -2.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6218   -4.5272   -2.1592 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920   -7.6059   -3.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8938   -8.6970   -4.1530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5920   -9.7881   -4.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8196   -9.7881   -4.6747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8700  -10.9163   -5.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5415  -11.9655   -5.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8700  -13.0148   -6.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5271  -13.0148   -6.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557  -11.9655   -5.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5271  -10.9163   -5.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5683  -14.1059   -6.7391 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.7527  -14.1059   -6.7391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9175  -15.1227   -7.2253 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6018   -9.9663   -3.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018   -9.2126   -5.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8351   -9.0562   -3.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8351   -8.3025   -4.9327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285  -10.2640   -3.9338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285   -9.5103   -5.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156  -12.4790   -4.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3798  -12.0928   -6.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582   -8.7160   -3.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3582   -7.9623   -4.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515   -5.7593   -3.7167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515   -6.5130   -2.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4510   -6.3828   -3.0464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0904   -3.7209   -1.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4653   -5.3335   -2.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4456   -2.9183   -1.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9093   -8.6970   -4.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5735  -11.9655   -5.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111  -13.8211   -6.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1763  -11.9655   -5.7158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111  -10.1100   -4.8286 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 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  2  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  2  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 27  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  2  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 29  1  0  0  0  0
 27 28  2  0  0  0  0
M  CHG  2  27   1  29  -1
M  END
>  <SKU>
A11462

>  <Product Name>
IRAK-1-4 Inhibitor I

>  <CAS>
509093-47-4

>  <M.Wt>
395.41184

>  <Formula>
C20H21N5O4

>  <Synonyms>
IRAK-1/4 Inhibitor I

>  <URL>
https://www.adooq.com/irak-1-4-inhibitor-i.html

$$$$
