Molecule FYI-1005576

A

Molecule Summary:

ID: FYI-1005576
Names:
InChIKey: XLQKFUUISVSSOE-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(Nc1ccccc1C(=O)c2ccccc2)c(C(=O)O)cc34

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005576 Edit

Molecule Structure InChIKey: XLQKFUUISVSSOE-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(Nc1ccccc1C(=O)c2ccccc2)c(C(=O)O)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005576
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
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 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  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
 24 19  1  0  0  0  0
 25  7  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 29  6  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005576-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
   -0.1798   -3.1552    0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3870   -1.7333   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5683   -1.3143   -0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8229    0.0638   -0.9686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9195    0.3963   -1.3757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7489    0.9348   -0.9155 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5015    0.5220   -0.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5098    1.4856   -0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7939    1.2212    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7756    2.2425    0.0386 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5937    3.6570    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4944    4.2200    0.7110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2496    5.5933    0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1433    6.4511    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2661    5.9311   -0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4796    4.5399   -0.6365 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6475    4.0459   -1.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2101    3.0025   -1.0815 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1725    4.7868   -2.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3427    5.5282   -3.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8766    6.1937   -4.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2379    6.1087   -4.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0713    5.3692   -4.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5416    4.7118   -2.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0295   -0.0871    0.5606 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3569    0.1556   -0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2117   -2.0503    0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  2  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  7 30  2  0  0  0  0
  8  9  2  0  0  0  0
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  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
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 17 19  1  0  0  0  0
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 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
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 25 26  1  0  0  0  0
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 26 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 1650👍, 0💬