
 OpenBabel04291915333D

 57 61  0  0  0  0  0  0  0  0999 V2000
   20.5694  -19.5120    3.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0330  -18.2482    2.8603 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8495  -17.1871    2.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3302  -15.9635    2.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1430  -14.9071    2.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6237  -13.6834    2.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2915  -13.5162    2.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0367  -18.2436    2.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4247  -15.0679    2.3675 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.8977  -15.7837    2.4746 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4063  -14.6258    2.2940 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9832  -14.4472    2.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6695  -13.0160    2.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3907  -12.6111    1.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1157  -11.3569    1.7819 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8790  -10.9653    1.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9172  -11.8278    1.8525 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6640  -12.1241    1.9041 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0390  -12.5595    1.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7437   -9.4788    1.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0225   -9.8838    1.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3068  -11.1806    1.7629 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3123  -12.0725    1.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0335  -11.6676    1.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9656  -11.7059    1.8465 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.5834   -9.6167    1.5095 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2536   -9.1956    1.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9693   -7.8987    1.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6905   -7.4938    1.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6960   -8.3857    1.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4172   -7.9808    1.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2591  -10.0875    1.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0017   -9.7802    1.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1707  -10.1503    1.5896 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0027  -10.6761    1.6688 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9751   -7.9004    1.2419 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2687   -9.2396    1.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7770  -20.2225    3.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1722  -19.5097    3.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1727  -19.7788    2.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2483  -12.8716    2.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5516  -12.8054    2.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7836  -19.2322    3.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5647  -14.7630    3.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5668  -15.0314    1.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6264  -13.2965    2.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.7867   -9.1984    1.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5308  -13.0691    2.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8150  -10.6710    1.6807 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3124   -8.9628    1.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7335   -7.2133    1.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5004   -7.5127    1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3071  -11.1061    1.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010  -11.5810    1.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3301   -9.3727    1.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8528   -9.8245    0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8496   -9.5548    2.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  2  0  0  0  0
  7 42  1  0  0  0  0
  8 43  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  2  0  0  0  0
 16 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
 29 36  1  0  0  0  0
 29 30  2  0  0  0  0
 30 33  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
 33 35  1  0  0  0  0
 33 34  2  0  0  0  0
 35 54  1  0  0  0  0
 36 37  1  0  0  0  0
 37 55  1  0  0  0  0
 37 56  1  0  0  0  0
 37 57  1  0  0  0  0
M  END
>  <SKU>
A10004

>  <Product Name>
MLN8237 (Alisertib)

>  <CAS>
1028486-01-2 

>  <M.Wt>
518.9235032

>  <Formula>
C27H20ClFN4O4

>  <Synonyms>
N/A

>  <URL>
https://www.adooq.com/mln8237-alisertib.html

$$$$
