
 OpenBabel04291915473D

 45 47  0  0  1  0  0  0  0  0999 V2000
    7.4642   -4.9257    2.3164 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2734   -3.8281    1.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9258   -3.3589    1.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9157   -4.0983    1.9253 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7037   -3.6763    1.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6592   -4.4408    2.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8600   -5.5961    2.6263 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4059   -4.0045    1.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7171   -2.1582    1.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3595   -3.0331    1.4288 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1425   -1.7844    0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870   -1.0199    0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9782    0.1809   -0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0227    0.9453   -0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2285    0.5256   -0.2389 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8140    2.1461   -1.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9667    2.9898   -1.3959 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0087    8.0088   -2.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8123    2.2465   -2.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4885    4.2138   -1.9711 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3143    5.0885   -2.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6873    4.8581   -2.2712 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8488    6.2802   -2.9408 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4385    6.5169   -3.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9695    7.4671   -3.4968 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8480    6.8648   -4.5896 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2064    8.6632   -4.0591 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8892   -1.3481    0.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5432   -2.7536    1.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3746   -4.0395    1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1996   -1.3322    0.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2783   -3.3529    1.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1501   -1.3552    0.6430 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0152    0.5161   -0.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6591    8.8019   -1.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0105    8.3831   -2.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5428    1.2110   -2.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8470    2.3457   -2.1634 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6423    2.6596   -3.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0155    4.0180   -1.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3271    5.5357   -2.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9035    5.6779   -2.6600 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1808    6.6534   -4.0829 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792    7.3960   -2.5012 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8967   -1.6043    0.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 28  2  0  0  0  0
 17 16  1  1  0  0  0
 17 20  1  0  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 25  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  2  0  0  0  0
 21 23  1  0  0  0  0
 21 22  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 27  2  0  0  0  0
 25 26  2  0  0  0  0
 28 45  1  0  0  0  0
M  END
>  <SKU>
A16113

>  <Product Name>
Verubecestat (MK-8931)

>  <CAS>
1286770-55-5

>  <M.Wt>
409.4103864

>  <Formula>
C17H17F2N5O3S

>  <Synonyms>
MK-8931, MK 8931, MK8931

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

$$$$
