Molecule FYI-1003663

A

Molecule Summary:

ID: FYI-1003663
Names:
InChIKey: NJOBGLRVSUKGDG-UHFFFAOYSA-N
SMILES: N#Cc2cc(S(=O)(=O)Nc1ncns1)ccc2Oc4ccc(c3ccccc3)cc4c5ccnn5C6CN(CC(=O)O)C6

Received at FYIcenter.com on: 2023-07-15

Molecule ID: FYI-1003663 Edit

Molecule Structure InChIKey: NJOBGLRVSUKGDG-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc2cc(S(=O)(=O)Nc1ncns1)ccc2Oc4ccc(c3ccccc3)cc4c5ccnn5C6CN(CC(=O)O)C6

Download SDF Download SVG Structure in 2D SDF:

FYI-1003663
FYIcenter.com

 43 48  0  0  0  0  0  0  0  0999 V2000
   12.9003    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6878    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6878    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9003    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1127    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1127    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3251    6.3543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.5376    7.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0251    5.1418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6251    7.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7500    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8964    4.9620    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.2658    4.6709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  2 16  1  0  0  0  0
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 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003663-3D
FYIcenter.com

 66 71  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

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2023-07-29, 2205👍, 0💬