Molecule FYI-1012466

A

Molecule Summary:

ID: FYI-1012466
Names:
InChIKey: RQQJFINBJBPJMH-UHFFFAOYSA-N
SMILES: CS(=O)(=O)Nc5ccc(NC(=O)c4cccc(c3cccc(c2nc1cc(F)ccc1[nH]2)c3)c4)c(Cl)c5

Received at FYIcenter.com on: 2024-09-06

Molecule ID: FYI-1012466 Edit

Molecule Structure InChIKey: RQQJFINBJBPJMH-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)Nc5ccc(NC(=O)c4cccc(c3cccc(c2nc1cc(F)ccc1[nH]2)c3)c4)c(Cl)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1012466
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
   12.1243   11.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.5082    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119   13.7206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119   11.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   13.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   13.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.4082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.5082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    2.7159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    4.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.0082    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.1082    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  2  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  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
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 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
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 28 27  1  0  0  0  0
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 34 17  2  0  0  0  0
 34 13  1  0  0  0  0
 35  9  1  0  0  0  0
 36 35  1  0  0  0  0
 37 35  2  0  0  0  0
 37  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012466-3D
FYIcenter.com

 57 61  0  0  0  0  0  0  0  0999 V2000
    1.2843   -3.5660    0.7252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -2.8941   -0.5352 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5088   -2.4296   -1.6204 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3181   -2.0382    0.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0829   -4.3209   -1.1023 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5078   -4.3593   -1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2783   -3.8586   -2.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6681   -3.8062   -1.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103   -4.2386   -0.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7256   -4.1918   -0.6233 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5865   -3.4890   -1.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2618   -2.6664   -2.3035 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0307   -3.8041   -1.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6620   -4.0492   -0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0114   -4.3947   -0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7092   -4.5248   -1.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0886   -4.3161   -2.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7719   -4.6625   -3.8559 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6004   -5.7935   -3.9083 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2147   -6.2052   -5.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9801   -5.5097   -6.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1434   -4.3874   -6.2896 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9033   -3.6962   -7.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2568   -4.1091   -8.7802 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9035   -3.1055   -9.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6670   -1.8128  -11.6651 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8344   -1.6766  -12.9893 F   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5615   -3.9674   -5.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
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  1 40  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
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  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  2  0  0  0  0
  7  8  2  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  2  0  0  0  0
 10 11  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  2  0  0  0  0
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 15 16  1  0  0  0  0
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 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 19  1  0  0  0  0
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 19 20  2  0  0  0  0
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 20 21  1  0  0  0  0
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 21 22  2  0  0  0  0
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 23 32  1  0  0  0  0
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 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 57  1  0  0  0  0
M  END
$$$$

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2024-09-28, 901👍, 0💬