
 OpenBabel04291915423D

 42 44  0  0  0  0  0  0  0  0999 V2000
   16.6313    4.8811   -2.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5868    4.1494   -2.3868 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7955    3.0003   -1.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7510    2.2686   -1.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9597    1.1195   -0.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9152    0.3878   -0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6620    0.8052   -0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4533    1.9544   -1.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4978    2.6860   -1.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4225    6.0302   -3.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1323   -0.8072    0.4699 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0166   -1.5887    0.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5106   -2.7989    1.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7175   -2.9927    1.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6031   -3.7188    2.1474 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0528   -4.8204    2.7831 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1453   -5.7403    3.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5833   -6.8134    3.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0030   -7.0419    4.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4410   -8.1149    4.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5026   -9.0655    5.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9406  -10.1386    5.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6449   -7.7640    4.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4380   -7.5697    4.3684 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8303  -10.4427    6.0264 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.3792   -8.1780    4.7181 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3306   -8.4191    4.8586 Br  0  0  0  0  0  0  0  0  0  0  0  0
   17.5944    4.5603   -2.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6237    4.4702   -2.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7586    2.6795   -1.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9228    0.7987   -0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8593    0.2430   -0.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4902    2.2751   -1.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6741    6.8973   -3.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0511   -1.1132    0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4229   -1.8798    0.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4213   -1.0069    1.5918 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6352   -3.5634    2.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0207   -4.9758    2.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1306   -5.5774    3.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6736   -6.3625    3.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0669   -7.4129    4.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 27  1  0  0  0  0
 20 21  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  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
 26 42  1  0  0  0  0
M  END
>  <SKU>
A13723

>  <Product Name>
CFTR-Inhibitor-II

>  <CAS>
328541-79-3

>  <M.Wt>
493.1487

>  <Formula>
C19H15Br2N3O3

>  <Synonyms>
GlyH-101, Cystic Fibrosis Transmembrane Conductance, Regulator Inhibitor II

>  <URL>
https://www.adooq.com/cftr-inhibitor-ii.html

$$$$
