
 OpenBabel04291915393D

 47 51  0  0  1  0  0  0  0  0999 V2000
    3.7898    8.8049   -0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7253    7.7760   -0.5384 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8493    7.9592    0.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    7.8783   -1.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8991    9.0276   -2.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5921    9.1203   -3.7766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1046   10.2695   -4.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9242   11.3261   -3.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4367   12.4753   -3.9576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1297   12.5680   -5.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7725    8.0637   -4.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3224   11.2059   -1.7710 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7976   10.3622   -5.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3521   11.4128   -6.0282 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5610    6.8565   -2.7599 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0679    5.6614   -2.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2483    4.6048   -3.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358    3.4556   -2.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9162    2.3990   -3.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4037    1.2498   -2.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3749    5.5687   -0.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2229    6.4605   -0.2566 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    5.3439   -0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690    4.1528   -0.2390 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1208    3.1145   -0.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5714    1.9234   -0.2046 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8232    0.8850   -0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2279   -3.5739   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9761   -2.5355   -0.1360 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5256   -1.3444   -0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737   -0.3061   -0.1703 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6658    8.6218   -0.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0344    8.7311    0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186    9.7862   -0.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7604    9.8395   -1.8508 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2981   13.2873   -3.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2369   13.2132   -5.9788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0381    7.1008   -4.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0124    4.6761   -4.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9717    3.3844   -1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803    2.4703   -4.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7263    0.2697   -2.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3853    6.1001   -0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1316    6.3447    0.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    3.2358   -0.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8848   -2.6513    0.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5730   -1.2231   -0.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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 22  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  1  0  0  0
  4  5  2  0  0  0  0
  4 15  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 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  2  0  0  0  0
 10 37  1  0  0  0  0
 11 38  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 46  1  0  0  0  0
 30 31  2  0  0  0  0
 30 47  1  0  0  0  0
M  END
>  <SKU>
A12422

>  <Product Name>
IPI-145 (Duvelisib, INK1197)

>  <CAS>
1201438-56-3

>  <M.Wt>
416.86298

>  <Formula>
C22H17ClN6O

>  <Synonyms>
IPI145; IPI 145; IPI-145. INK-1197; INK 1197; INK1197

>  <URL>
https://www.adooq.com/ipi-145.html

$$$$
