Molecule FYI-1016355

A

Molecule Summary:

ID: FYI-1016355
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-1016355 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-1016355
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
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 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
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 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
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 32 31  2  0  0  0  0
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 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-1016355-3D
FYIcenter.com

 54 58  0  0  0  0  0  0  0  0999 V2000
   -5.1839    2.6784   -6.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7880    2.1614   -5.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5768    2.5447   -4.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2228    2.0616   -3.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0992    1.2012   -2.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6612    0.5742   -0.9971 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3478   -0.6848   -0.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172    0.6593   -0.9017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2660    1.7214    0.0646 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6438    1.9256   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0164    2.8879   -0.8412 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3246    3.1772   -0.8578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6934    4.1055   -1.8413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2501    2.5644   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6823    3.0169   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2414    3.1164    1.1628 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6210    3.3706    1.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2077    3.1863    2.5341 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5728    3.4047    2.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3715    3.8099    1.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8067    3.9769    0.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4372    3.7527    0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7588    3.9647   -1.4308 S   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2760    3.2492   -1.2352 N   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.3207   -0.7359    3.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4020   -1.4781    4.5237 Cl  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
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  5 34  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
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 10 33  2  0  0  0  0
 11 12  2  0  0  0  0
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 20 21  2  0  0  0  0
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 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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