Molecule FYI-1016354

A

Molecule Summary:

ID: FYI-1016354
Names:
InChIKey: KPHWJMTVVFBQTF-UHFFFAOYSA-N
SMILES: Cc5ccc(S(=O)(=O)Nc4nc(N)c(c2nc1ccccc1s[nH]2)c(c3ccc(Cl)cc3)n4)cc5

Received at FYIcenter.com on: 2025-12-09

Molecule ID: FYI-1016354 Edit

Molecule Structure InChIKey: KPHWJMTVVFBQTF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5ccc(S(=O)(=O)Nc4nc(N)c(c2nc1ccccc1s[nH]2)c(c3ccc(Cl)cc3)n4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1016354
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
   15.7617   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    6.4876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    6.4876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    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
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  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
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
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 25 14  1  0  0  0  0
 26 25  1  0  0  0  0
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 28 27  1  0  0  0  0
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 30 29  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  2  0  0  0  0
 32 26  1  0  0  0  0
 33 25  2  0  0  0  0
 33 10  1  0  0  0  0
 34  5  1  0  0  0  0
 35 34  2  0  0  0  0
 35  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016354-3D
FYIcenter.com

 54 58  0  0  0  0  0  0  0  0999 V2000
   -5.1059    2.6772   -6.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7264    2.1660   -5.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5279    2.5505   -4.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1980    2.0738   -3.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0741    1.2084   -2.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6618    0.5770   -0.9926 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3543   -0.6803   -0.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2178    0.6486   -0.8824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2683    1.7230    0.0715 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6461    1.9270    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0169    2.8867   -0.8446 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3246    3.1762   -0.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6933    4.1049   -1.8458 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2497    2.5637   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6808    3.0144   -0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2401    3.1198    1.1593 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6203    3.3694    1.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2060    3.1779    2.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5723    3.3868    2.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3729    3.7903    1.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8085    3.9659    0.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4376    3.7501    0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7575    3.9700   -1.4325 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2780    3.2426   -1.2391 N   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.7634   -0.4090    2.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3221   -0.7344    3.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4028   -1.4772    4.5255 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1652    0.2402    2.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  2  0  0  0  0
  3  4  2  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 15 24  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 26 27  1  0  0  0  0
 26 32  2  0  0  0  0
 27 28  2  0  0  0  0
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 31 51  1  0  0  0  0
 32 52  1  0  0  0  0
 34 35  1  0  0  0  0
 34 53  1  0  0  0  0
 35 54  1  0  0  0  0
M  END
$$$$

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2025-12-09, 376👍, 0💬