Molecule FYI-1013677

A

Molecule Summary:

ID: FYI-1013677
Names:
InChIKey: JNNVYQHNSCWMRH-RMKNXTFCSA-N
SMILES: O=C(/C=C/c1ccc(N(=O)=O)o1)c4ccc(Nc2ccnc3cc(Cl)ccc23)cc4

Received at FYIcenter.com on: 2025-01-21

Molecule ID: FYI-1013677 Edit

Molecule Structure InChIKey: JNNVYQHNSCWMRH-RMKNXTFCSA-N

Molecule Structure SMILES String: O=C(/C=C/c1ccc(N(=O)=O)o1)c4ccc(Nc2ccnc3cc(Cl)ccc23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013677
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   16.8143    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3893    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1769    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1769    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2617    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3923    3.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3312    4.9077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3893    0.0000    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  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  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
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 26 19  1  0  0  0  0
 27 16  2  0  0  0  0
 28 15  1  0  0  0  0
 29 28  2  0  0  0  0
 29 12  1  0  0  0  0
 30  6  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013677-3D
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.0440   -0.0181   -0.0821 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2691   -0.0556   -0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1156   -0.1691    1.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5173   -0.2337    2.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645   -0.2583    3.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855   -0.2893    4.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8945   -0.2692    5.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9935   -0.2333    4.8656 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3916   -0.1907    5.1541 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7016   -0.1723    6.3520 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1809   -0.1797    4.2000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6450   -0.2315    3.5542 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9335    0.0747   -1.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3113    0.8440   -2.4756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8779    0.9885   -3.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0756    0.3618   -4.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7412    0.4016   -5.3385 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5906    0.9370   -6.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5336    1.7628   -7.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4459    2.2045   -8.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3144    1.8745   -9.3005 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.0810   -8.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2149    0.7431  -10.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4486   -1.1676   -8.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6208   -1.2269   -1.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  2  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  2  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
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 18 28  2  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 27 42  1  0  0  0  0
 29 30  1  0  0  0  0
 29 43  1  0  0  0  0
 30 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 575👍, 0💬