Molecule FYI-1013396

A

Molecule Summary:

ID: FYI-1013396
Names:
InChIKey: JUORGYVNDBQYEN-UHFFFAOYSA-N
SMILES: COc3ccc(NC(=O)CCc2cc1ccccc1[nH]2)cc3C

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

Molecule ID: FYI-1013396 Edit

Molecule Structure InChIKey: JUORGYVNDBQYEN-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(NC(=O)CCc2cc1ccccc1[nH]2)cc3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1013396
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 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 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    7.0959    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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    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 N   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-1013396-3D
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
    2.7983   -0.6692    1.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2155   -0.0993   -0.0824 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0396    0.2074   -1.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6359    1.3549   -1.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3058    1.7908   -2.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3945    1.0850   -3.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0939    1.4620   -4.6345 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7887    2.5450   -5.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8390    3.3117   -5.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    2.7351   -6.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7547    4.2282   -6.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6236    4.5152   -8.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9630    4.8313   -8.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3091    5.0001   -9.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5087    5.3012  -10.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5102    5.3738  -11.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3379    5.1650  -12.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1302    4.8796  -11.6908 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502    4.7989  -10.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1359    4.5300   -9.4048 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8077   -0.0617   -2.7748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1324   -0.5261   -1.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  2  0  0  0  0
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  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  2  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 23 43  1  0  0  0  0
M  END
$$$$

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2024-12-18, 819👍, 0💬