Molecule FYI-1013455

A

Molecule Summary:

ID: FYI-1013455
Names:
InChIKey: NNJGGXHDMCAKCI-UHFFFAOYSA-N
SMILES: CN(C)c3cccc(NC(=O)CCc2nc1ccccc1s2)c3

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

Molecule ID: FYI-1013455 Edit

Molecule Structure InChIKey: NNJGGXHDMCAKCI-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c3cccc(NC(=O)CCc2nc1ccccc1s2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013455
FYIcenter.com

 23 25  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
   14.0152    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    1.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    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
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1695    1.5036    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
 23 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013455-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.3067    0.1294   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215   -0.5076   -0.0992 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3761   -0.5128    1.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3412   -0.5180   -1.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8336    0.0512   -2.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5535    0.0382   -3.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8072   -0.5640   -3.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424   -1.1588   -2.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6064   -1.7893   -2.5765 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5156   -1.8872   -3.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3931   -1.4407   -4.7435 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7743   -2.6404   -3.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7204   -1.8191   -2.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3610   -1.6535   -0.9155 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2488   -2.0243   -0.3066 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2701   -1.5758    1.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4083   -1.1784    3.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5631   -0.4796    3.6018 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5941   -0.3326    2.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4242   -0.8852    1.3935 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 27  1  0  0  0  0
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  3 29  1  0  0  0  0
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  4 23  2  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
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 23 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-01-07, 901👍, 0💬