Molecule FYI-1013684

A

Molecule Summary:

ID: FYI-1013684
Names:
InChIKey: BFYAYQURXQLKJJ-JLHYYAGUSA-N
SMILES: O=C(/C=C/c1ccc(N(=O)=O)o1)c5ccc(N(Cc2ccc(Br)cc2)c3ccnc4cc(Cl)ccc34)cc5

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

Molecule ID: FYI-1013684 Edit

Molecule Structure InChIKey: BFYAYQURXQLKJJ-JLHYYAGUSA-N

Molecule Structure SMILES String: O=C(/C=C/c1ccc(N(=O)=O)o1)c5ccc(N(Cc2ccc(Br)cc2)c3ccnc4cc(Cl)ccc34)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013684
FYIcenter.com

 38 42  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
   14.3894    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9646    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3272    6.3000    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
    0.0000    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   14.3894    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  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
 18 16  1  0  0  0  0
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 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
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 25 24  1  0  0  0  0
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 31 30  1  0  0  0  0
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 33 31  2  0  0  0  0
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 34 27  1  0  0  0  0
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 36 23  1  0  0  0  0
 37 36  2  0  0  0  0
 37 20  1  0  0  0  0
 38  6  2  0  0  0  0
 38  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013684-3D
FYIcenter.com

 57 61  0  0  0  0  0  0  0  0999 V2000
    0.9903    0.5262    0.7158 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0066    0.2240    0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6686   -1.1109    0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0714   -2.0574    1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6685   -3.3231    1.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1705   -4.3772    2.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176   -5.4320    2.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1533   -4.9735    1.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4010   -5.5683    0.9211 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6152   -6.7089    1.3660 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1646   -4.9183    0.2021 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9110   -3.7243    0.8078 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6337    1.2145   -0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6098    2.5849   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2348    3.5291   -1.3961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8587    3.1456   -2.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5600    4.0689   -3.4354 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6270    3.4758   -4.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0478    3.3528   -3.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3771    3.2530   -2.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6929    2.9512   -1.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6865    2.7477   -2.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1880   -0.2283   -2.3406 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 39  1  0  0  0  0
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  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  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 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
 13 38  2  0  0  0  0
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 15 16  1  0  0  0  0
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 19 25  2  0  0  0  0
 20 21  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
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 31 32  2  0  0  0  0
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 37 38  1  0  0  0  0
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 38 57  1  0  0  0  0
M  END
$$$$

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2025-02-16, 854👍, 0💬