Molecule FYI-1002784

A

Molecule Summary:

ID: FYI-1002784
Names:
InChIKey: RRWUVLZDYUQBIX-PXLXIMEGSA-N
SMILES: Cc2nn(C(=O)c1ccccc1F)c(=O)c2=NNc3ccc(Cl)c(Cl)c3

Received at FYIcenter.com on: 2023-04-23

Molecule ID: FYI-1002784 Edit

Molecule Structure InChIKey: RRWUVLZDYUQBIX-PXLXIMEGSA-N

Molecule Structure SMILES String: Cc2nn(C(=O)c1ccccc1F)c(=O)c2=NNc3ccc(Cl)c(Cl)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002784
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.1681    7.2291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   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
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322    2.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.3710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    6.5834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1473    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3245    8.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5397    8.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    9.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5015    9.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3244    8.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7549    7.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3626    6.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7932    5.5971    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  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  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  6  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
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 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002784-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.5565    0.3350    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1490   -0.1286    0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7454   -1.3593    0.1053 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6681   -1.3566    0.0752 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3915   -2.5548   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6185   -2.6064   -0.0656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6205   -3.8293   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5471   -3.9472   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3053   -5.1196   -0.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8678   -6.2125   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3311   -6.1334    0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0649   -4.9459    0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1879   -4.9033    1.3245 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2244   -0.0724    0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3496    0.3691    0.1532 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0047    0.7972    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1194    2.0815   -0.0406 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0283    2.8009   -0.0764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9533    4.2034   -0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1260    4.9598    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0898    6.3558   -0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8783    7.0157   -0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9047    8.7403   -0.3806 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2968    6.2741   -0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8321    7.0141   -0.7204 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2532    4.8787   -0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2267   -0.5289   -0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7172    0.9359   -0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8973   -3.1237   -1.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2396   -5.1722   -1.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4579   -7.1256   -0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6949   -6.9874    1.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0832    4.4665    0.1614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0134    6.9203    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709    4.3087   -0.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  3  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  2  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-26, 2477👍, 0💬