Molecule FYI-1014799

A

Molecule Summary:

ID: FYI-1014799
Names:
InChIKey: KPMSMZJCXLMOBY-UHFFFAOYSA-N
SMILES: O=C(O)c3cc(NC(=O)CSc1ccccn1)cc(NC(=O)CSc2ccccn2)c3

Received at FYIcenter.com on: 2025-05-26

Molecule ID: FYI-1014799 Edit

Molecule Structure InChIKey: KPMSMZJCXLMOBY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c3cc(NC(=O)CSc1ccccn1)cc(NC(=O)CSc2ccccn2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014799
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   10.9119   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  2  1  0  0  0  0
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 18  6  2  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31 19  2  0  0  0  0
 31  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014799-3D
FYIcenter.com

 49 51  0     0  0  0  0  0  0999 V2000
   -5.3958   -0.5113    0.8647 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4093   -0.4909   -0.8581 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742    5.2320   -0.7717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9835    2.1702   -0.6156 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9902    2.1763    0.6414 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7800    5.4242    0.6610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3797    0.4635   -0.3787 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3909    0.4671    0.3926 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6877   -2.0994   -0.8690 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057   -2.0879    0.8642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1878    1.1622   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0020    3.2554    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1954    2.5588    0.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6752    0.9895    0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7112   -0.0964   -0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7240   -0.0894    0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    4.7095    0.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5865   -1.7797    0.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 24  2  0  0  0  0
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 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
M  END
$$$$

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2025-06-21, 1973👍, 0💬