Molecule FYI-1013446

A

Molecule Summary:

ID: FYI-1013446
Names:
InChIKey: BKIWONYIXUAFCY-UHFFFAOYSA-N
SMILES: CC(C)(C)c3ccc(NC(=O)CCc2nc1ccccc1s2)cc3

Received at FYIcenter.com on: 2024-12-11

Molecule ID: FYI-1013446 Edit

Molecule Structure InChIKey: BKIWONYIXUAFCY-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c3ccc(NC(=O)CCc2nc1ccccc1s2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013446
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    6.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    6.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7152    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013446-3D
FYIcenter.com

 46 48  0  0  0  0  0  0  0  0999 V2000
    3.2112    1.1125   -0.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6524   -0.0900    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1152   -0.0462   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379   -1.3588   -0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0950   -0.0589    1.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3478    1.1599    2.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    1.2109    3.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9654    0.0449    4.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4214    0.0173    5.5712 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7687    1.0976    6.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312    2.2796    6.0442 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2492    0.6988    7.7383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1194    0.2822    8.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5246   -1.0843    8.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7737   -1.9391    7.4793 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9017   -3.0325    7.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0451   -3.9746    8.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0191   -2.9881    8.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3300   -1.5821    9.5896 S   0  0  0  0  0  0  0  0  0  0  0  0
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 24 46  1  0  0  0  0
M  END
$$$$

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2025-01-07, 671👍, 0💬