
 OpenBabel04291915373D

 53 55  0  0  0  0  0  0  0  0999 V2000
    0.9585    0.0821    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4785    0.0821    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4518    1.3756    0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0682    1.3756    0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8568    2.7784    1.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2948    3.8966    1.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7145    4.1348    1.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1525    5.2530    2.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5722    5.4912    2.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9814    6.5358    3.1172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7952    1.7878    0.8527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3571    0.6695    0.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2298   -0.2518   -0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7822   -1.3946   -0.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4619   -1.6161   -0.7708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0142   -2.7588   -1.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0803    0.4553    0.2172 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9217   -3.7169   -1.7728 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8442   -1.3847   -0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9758   -1.1952   -0.5677 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7452   -2.4113   -1.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9852   -3.5994   -1.7167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9730   -4.6422   -2.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2380   -5.7912   -2.7621 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1932   -6.7997   -3.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6191   -1.8043   -2.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9585    0.0821    0.0392 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6018   -0.7493    0.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6018    0.0029   -0.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672    0.2893   -0.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3473   -0.4083    0.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3469    2.3367    1.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4248    0.5442    1.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4248    1.2964   -0.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6242    4.6046    2.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3851    3.4268    1.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4819    5.9610    2.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2444   -0.0816   -0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3290    1.0297    0.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5936   -4.5547   -2.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8897   -3.5545   -1.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3604   -2.7362   -0.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3701   -4.0267   -0.9526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3701   -3.2745   -2.5297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5881   -4.2149   -2.9782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5881   -4.9671   -1.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6516   -6.1985   -2.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6041   -7.5452   -2.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3236   -7.4898   -4.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1612   -1.1185   -2.9174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5015   -1.2070   -2.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2885    0.0821    0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  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
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  2  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  3  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 39  1  0  0  0  0
 15 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 17  2  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  3  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 53  1  0  0  0  0
M  END
>  <SKU>
A11452

>  <Product Name>
IKK-2 inhibitor VIII

>  <CAS>
406209-26-5

>  <M.Wt>
400.9018

>  <Formula>
C21H25ClN4O2

>  <Synonyms>
IKK-beta inhibitor

>  <URL>
https://www.adooq.com/ikk-2-inhibitor-viii.html

$$$$
