
 OpenBabel04291915403D

 50 52  0  0  1  0  0  0  0  0999 V2000
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    8.0390  -13.5566    0.4546 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2747  -14.3048    0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4022  -12.1785    0.5296 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1666  -11.4303    0.4998 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4622  -11.9898   -0.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6881  -12.0630    1.7130 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0343  -10.9178    1.9973 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3656  -10.8096    3.1054 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7362   -9.7070    3.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7755   -8.7126    2.5445 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4442   -8.8207    1.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0749   -9.8895    1.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8380  -10.0129   -0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1170  -10.2519    0.1455 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3445  -11.0168   -0.8495 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7373   -8.8809   -0.8209 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0172   -9.5907    4.5705 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3404   -8.4051    4.8647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489   -8.2933    6.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9981   -7.1532    6.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066   -7.0414    7.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660   -8.0696    8.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3810   -7.3769    4.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4479   -5.5370    7.8126 S   0  0  3  0  0  0  0  0  0  0  0  0
    1.4729   -4.3502    7.8710 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5892   -5.2605    6.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3816   -5.6971    9.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183   -4.4067    9.7336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6513   -5.9725   10.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9172  -13.7329    1.5565 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1600  -13.5504   -1.6725 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2700  -14.6534   -0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5860  -12.9350   -0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6979  -12.7380   -0.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0132  -12.0790   -1.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0140  -11.0197   -0.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4665   -8.0223    0.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9874  -10.3445    5.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6177   -9.0835    6.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0293   -6.3630    5.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0041   -8.5792    9.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6429   -6.8673    3.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2121   -4.3697    8.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0805   -6.5063    9.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1010   -4.3790   10.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3097   -3.4092    9.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972   -5.7837   10.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9360   -6.6506   11.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177  -13.6521    2.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  1  0  0  0
  2 31  1  0  0  0  0
  2  1  1  0  0  0  0
  4  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  5  1  6  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 28  1  0  0  0  0
 25 27  2  0  0  0  0
 25 26  2  0  0  0  0
 26 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 45  1  0  0  0  0
 29 30  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
>  <SKU>
A12742

>  <Product Name>
BAY 1000394 (Roniciclib)

>  <CAS>
1223498-69-8

>  <M.Wt>
430.4445496

>  <Formula>
C18H21F3N4O3S

>  <Synonyms>
BAY10-00394; BAY1000394

>  <URL>
https://www.adooq.com/bay-1000394.html

$$$$
