
 OpenBabel04291915473D

 44 46  0  0  0  0  0  0  0  0999 V2000
   -2.0840  -10.9807  -18.7129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0867  -10.6098  -18.1927 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0913   -9.4423  -17.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2265   -8.7400  -17.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2309   -7.6172  -16.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2258   -8.8556  -17.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3661   -6.9150  -16.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5820   -7.3672  -17.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5776   -8.4900  -17.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7084   -8.9105  -18.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7040  -10.0333  -19.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7976  -10.4400  -19.6640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7173   -6.6649  -16.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3706   -5.7922  -15.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0395   -9.0217  -16.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2200   -9.7520  -16.9895 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6721   -9.2119  -16.2321 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0291   -7.8215  -16.7498 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337   -9.1457  -14.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4827   -8.3523  -13.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020   -8.3021  -12.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4955   -8.3569  -14.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7208   -7.6111  -14.8732 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3648   -9.0823  -14.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509   -7.5086  -12.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1703   -7.4584  -10.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2041   -9.8890  -13.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8054  -10.1816  -16.5553 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135  -11.2904  -18.3351 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0955   -9.0632  -17.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2419   -9.2761  -17.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -8.6244  -18.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9134   -9.5605  -16.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7052   -9.0296  -17.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5808   -8.3709  -18.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8316  -10.5730  -19.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1171   -5.8228  -16.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7674   -4.9493  -15.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232  -10.5751  -17.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8906   -7.7811  -14.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0572   -7.0575  -14.5111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411   -6.9374  -12.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2565   -7.1560   -9.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9791  -10.5705  -13.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2 29  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7 14  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
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 28  2  0  0  0  0
 17 19  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 25  2  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  2  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  CHG  2   2   1  29  -1
M  END
>  <SKU>
A15946

>  <Product Name>
Alofanib (RPT835)

>  <CAS>
1612888-66-0

>  <M.Wt>
413.4039

>  <Formula>
C19H15N3O6S

>  <Synonyms>
RPT-835, RPT 835

>  <URL>
https://www.adooq.com/alofanib-rpt835.html

$$$$
