Molecule FYI-1002685

A

Molecule Summary:

ID: FYI-1002685
Names:
InChIKey: VNPZDNKRPQTAOF-UHFFFAOYSA-N
SMILES: COc4ccc3nc(COc2ccc(CC1C(=O)NC(=O)S1(=O)=O)cc2)n(C)c3c4

Received at FYIcenter.com on: 2023-04-19

Molecule ID: FYI-1002685 Edit

Molecule Structure InChIKey: VNPZDNKRPQTAOF-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4ccc3nc(COc2ccc(CC1C(=O)NC(=O)S1(=O)=O)cc2)n(C)c3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002685
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.5798    5.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9492    6.0284    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5166    4.6970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3186    5.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8880    4.4584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0186    6.9498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0818    7.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3729    9.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5903    8.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  2  0  0  0  0
 26 19  1  0  0  0  0
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 27 17  1  0  0  0  0
 28 27  1  0  0  0  0
 29 14  1  0  0  0  0
 30 29  2  0  0  0  0
 30 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002685-3D
FYIcenter.com

 49 52  0  0  1  0  0  0  0  0999 V2000
    6.6398   -2.8594    0.5154 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4370   -1.4627    0.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8942   -0.8011    1.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1044    0.3108    1.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2908    1.2965    4.5767 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7889    0.5800    5.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8837   -0.2135    7.6039 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6930   -2.0623   15.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 49  1  0  0  0  0
M  END
$$$$

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2023-04-25, 1603👍, 0💬