Molecule FYI-1004517

A

Molecule Summary:

ID: FYI-1004517
Names:
InChIKey: JFOGIBNZNXRHTQ-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)Nc3cccc(NC(=O)c1cc(F)cc2[nH]c(CN)nc12)c3

Received at FYIcenter.com on: 2023-09-12

Molecule ID: FYI-1004517 Edit

Molecule Structure InChIKey: JFOGIBNZNXRHTQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OC(=O)Nc3cccc(NC(=O)c1cc(F)cc2[nH]c(CN)nc12)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004517
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.2747    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    6.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5906    6.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8242    5.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 23 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004517-3D
FYIcenter.com

 51 53  0  0  0  0  0  0  0  0999 V2000
    3.3892   -1.3894    0.6243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7157   -0.0911    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7868    0.0570   -1.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262   -0.1919    0.5180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733    1.0757    0.8430 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980    1.3633    0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3059    0.6842   -0.0929 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0316    2.4478    1.3899 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3576    2.9837    1.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2164    2.6501    0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5286    3.0858    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0135    3.8871    1.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1946    4.2998    2.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6879    5.1750    3.3940 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0162    5.5596    3.5432 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9538    5.0562    2.9173 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2593    8.2628    4.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5739    8.5182    4.9056 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3875    9.2404    5.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0616    8.8369    5.4272 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8451    3.8504    2.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  9 29  2  0  0  0  0
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 29 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1568👍, 0💬