Molecule FYI-1001181

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Molecule Summary:

ID: FYI-1001181
SMILES: CO/C(=C\\c1ccc(O)c(OC)c1)C(=O)NCCc2c[nH]cn2

Received at FYIcenter.com on: 2022-02-22

Molecule ID: FYI-1001181 Edit

Molecule Structure SMILES String: CO/C(=Cc1ccc(O)c(OC)c1)C(=O)NCCc2c[nH]cn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001181
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.7029    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    6.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 13  5  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001181-3D
FYIcenter.com

 42 43  0  0  0  0  0  0  0  0999 V2000
    2.9654    0.6621   -1.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5276    0.3133    0.0834 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1498   -0.7519    0.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4349   -1.6810    1.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9695   -1.8720    1.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4176   -2.4694    2.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9320   -2.8367    2.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535   -2.6035    1.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0526   -3.0319    1.5867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2359   -1.9797    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8798   -1.6582   -0.7735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2720   -1.9222   -0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1289   -1.6310    0.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6593   -0.9269    0.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1819   -1.9101    1.3053 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4045    0.0847    0.2344 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8553    0.0271    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4149    1.1256   -0.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8992    1.1417   -0.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7688    1.8282    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0191    1.4804   -0.3613 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8667    0.6237   -1.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5994    0.4033   -1.6742 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0881    0.8984   -1.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5328   -0.1289   -1.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    1.5825   -1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -2.4423    1.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0410   -2.6844    3.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3182   -3.3122    3.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1787   -3.5508    2.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6252   -1.4786   -1.8075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8362   -1.4461   -0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4618   -2.9990   -0.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5256   -1.1969   -0.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9569    0.9755    0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1523   -0.9651   -0.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2371    0.1209    1.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0442    2.1017   -0.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0376    0.9944   -1.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6105    2.5031    0.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8985    1.7943    0.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7073    0.1945   -1.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  3  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
 22 42  1  0  0  0  0
M  END
$$$$

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2022-04-21, 3472👍, 0💬