
 OpenBabel04291915373D

 57 59  0  0  0  0  0  0  0  0999 V2000
   27.9583   -2.7612   -2.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3013   -3.6296   -3.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8193   -3.6312   -3.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3253   -4.6971   -4.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0334   -4.8815   -4.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5521   -5.9201   -5.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2602   -6.1045   -5.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7789   -7.1431   -6.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4869   -7.3275   -6.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0214   -8.3319   -7.0886 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6952   -8.5213   -7.2464 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2297   -9.5257   -8.0977 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0274  -10.2363   -8.7024 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7726   -9.7337   -8.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5441  -10.8412   -9.2104 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0989  -11.0475   -9.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8626  -12.1926  -10.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4174  -12.3990  -10.5256 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8070  -11.1718  -11.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1545  -12.0683   -8.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1889  -13.5064  -11.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7318  -13.7145  -11.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2842  -14.6803  -12.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9639  -14.8688  -12.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5163  -15.8347  -13.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1960  -16.0232  -13.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8592  -12.9371  -10.9767 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2637   -5.5329   -4.7268 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4706   -5.3606   -4.5832 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9903   -2.7601   -2.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4423   -2.0803   -1.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.8173   -4.3105   -3.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   -2.6817   -3.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.4641   -3.8123   -2.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3628   -4.2842   -3.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2227   -6.5174   -5.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5896   -5.5072   -4.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8163   -6.7302   -5.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6612   -8.9018   -7.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0554   -7.9514   -6.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3284   -8.8405   -8.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3312   -9.9710   -7.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6546  -10.1543   -9.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6575  -11.2848   -8.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3069  -13.0858   -9.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3040  -11.9553  -11.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9839  -10.6924  -10.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4430  -10.7681  -11.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1937  -12.2720   -7.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0423  -12.6563   -8.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6332  -14.3996  -11.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6303  -13.2691  -12.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9548  -15.2777  -12.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2933  -14.2715  -12.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1869  -16.4320  -13.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3362  -16.4593  -13.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7947  -12.1519  -10.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  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
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  2  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 21  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 53  1  0  0  0  0
 24 25  2  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 26 27  2  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <SKU>
A11090

>  <Product Name>
PAC-1

>  <CAS>
315183-21-2

>  <M.Wt>
392.49402

>  <Formula>
C23H28N4O2

>  <Synonyms>
PAC1,first procaspase activating compound

>  <URL>
https://www.adooq.com/pac-1.html

$$$$
