Molecule FYI-1013592

A

Molecule Summary:

ID: FYI-1013592
Names:
InChIKey: VYBWDBOGNHCDKZ-UHFFFAOYSA-N
SMILES: NC(=O)c5ccc(n2nc(C(=O)c1ccccc1)cc2C(=O)CN4C(=O)c3ccccc3S4(=O)=O)cc5

Received at FYIcenter.com on: 2025-01-14

Molecule ID: FYI-1013592 Edit

Molecule Structure InChIKey: VYBWDBOGNHCDKZ-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)c5ccc(n2nc(C(=O)c1ccccc1)cc2C(=O)CN4C(=O)c3ccccc3S4(=O)=O)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013592
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
   12.3841    5.0531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5611    3.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1688    4.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4688    5.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0994    4.9882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368    3.4653    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0923    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5229    2.4952    0.0000 C   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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 17  9  1  0  0  0  0
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 21  7  2  0  0  0  0
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 31 23  1  0  0  0  0
 32  2  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 37 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013592-3D
FYIcenter.com

 55 59  0  0  0  0  0  0  0  0999 V2000
    1.1734   -0.4485    0.4158 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   -0.0781   -0.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8851   -0.5006   -1.0538 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1749    0.8671    0.8590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9900    0.9041    2.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7718    1.7526    3.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6983    2.6082    2.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4376    3.5222    3.2261 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292    3.2068    4.5151 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6237    4.1268    4.9229 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2929    4.0619    6.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4299    4.5291    6.4190 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5877    3.4327    7.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1898    3.4696    7.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5452    2.8546    8.5468 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2902    2.2066    9.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6820    2.1758    9.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3340    2.7950    8.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7700    5.1183    3.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9260    4.7721    2.8861 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5598    5.5559    1.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6980    5.2266    0.8989 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625    6.8823    1.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5179    6.7782    0.7754 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4316    8.4604   -0.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3758    6.0141    4.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1894    6.5895   -3.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  4 37  2  0  0  0  0
  5  6  2  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
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 20 21  1  0  0  0  0
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 23 24  1  0  0  0  0
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 24 25  1  0  0  0  0
 24 33  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  2  0  0  0  0
 28 29  2  0  0  0  0
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 33 35  2  0  0  0  0
 36 37  1  0  0  0  0
 36 54  1  0  0  0  0
 37 55  1  0  0  0  0
M  END
$$$$

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