Molecule FYI-1008267

A

Molecule Summary:

ID: FYI-1008267
Names:
InChIKey: ZJJXGWJIGJFDTL-UHFFFAOYSA-N
SMILES: Cc3cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC1CCCCC1)cc2)cn3

Received at FYIcenter.com on: 2024-04-26

Molecule ID: FYI-1008267 Edit

Molecule Structure InChIKey: ZJJXGWJIGJFDTL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC1CCCCC1)cc2)cn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1008267
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   20.6114    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  2  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008267-3D
FYIcenter.com

 58 60  0     0  0  0  0  0  0999 V2000
   -4.0331    0.0044   -0.7568 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6382   -1.6511   -1.8388 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0561   -0.1147   -2.2019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2662    0.1754   -0.0133 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5758    1.5851    2.1877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5384   -2.9908    0.0423 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1521   -1.3025   -0.0948 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6394    3.3603    0.6960 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2639    1.8965   -0.8895 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0543   -0.7117   -0.2267 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4238   -3.8089   -0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5431   -5.2326    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9110   -3.1687    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2827   -5.2980    1.6780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1691   -3.2375    1.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0558   -4.6652    2.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0573   -1.9701   -0.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9880    1.3656   -0.3335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3398    3.5155    0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1684    2.0337    0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9835    1.7724   -1.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4576    4.6639    0.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3443    3.1085    1.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1594    2.8473   -0.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8052    4.2522    1.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9606    2.0805    1.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8547    1.2933    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2431    0.0123    0.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4632   -0.1086   -1.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0751    1.1725   -1.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3607   -0.8789   -2.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4610   -3.8665   -1.4764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1840   -5.8763   -0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5372   -5.6427   -0.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7245   -3.6906   -0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9474   -2.1227   -0.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2932   -6.3445    2.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893   -4.7930    2.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1699   -2.8499    1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4561   -2.5932    2.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8709   -5.2713    1.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1787   -4.6682    3.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9318   -3.1369    0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4647   -1.6596    0.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1716    5.1998   -0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0198    5.3910    1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391    1.7291    1.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8232    1.2644   -2.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4921    3.6184    2.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3809    3.1534   -1.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    3.7960    2.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4054    5.1429    1.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0332    3.7002   -0.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266   -0.4847    1.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994    1.6643   -2.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8942   -1.0055   -3.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5676   -1.8744   -1.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3159   -0.3588   -2.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  1 18  1  0  0  0  0
  2 17  2  0  0  0  0
  5 26  2  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  6 43  1  0  0  0  0
  7 17  1  0  0  0  0
  7 44  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 53  1  0  0  0  0
  9 27  2  0  0  0  0
  9 30  1  0  0  0  0
 10 28  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 23  1  0  0  0  0
 20 47  1  0  0  0  0
 21 24  2  0  0  0  0
 21 48  1  0  0  0  0
 22 25  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 54  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1287👍, 0💬