Molecule FYI-1004228

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A

Molecule Summary:

ID: FYI-1004228
Names:
InChIKey: DDVZXPCLSBMQSK-UHFFFAOYSA-N
SMILES: Nc3cccc(NC(=O)c1cccc2cc(O)ccc12)c3

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004228 Edit

Molecule Structure InChIKey: DDVZXPCLSBMQSK-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc3cccc(NC(=O)c1cccc2cc(O)ccc12)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004228
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8497    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20 10  1  0  0  0  0
 20 14  2  0  0  0  0
 21  6  2  0  0  0  0
 21  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004228-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
   -5.5030    3.2881   -0.7735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4838    2.3357   -0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1863    2.7458   -0.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1899    1.8050   -0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4927    0.4422   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7986    0.0090   -0.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1955   -1.3488   -0.2547 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3751   -2.4560   -0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1534   -2.4365    0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0836   -3.7777   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1414   -3.9926   -0.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8211   -5.2053   -0.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4339   -6.2248   -0.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3684   -6.0524    0.8203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9955   -7.1185    1.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9451   -6.9765    2.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5619   -7.9954    3.3765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2557   -5.7812    2.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6178   -4.7140    1.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6718   -4.8151    0.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7903    0.9691   -0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1702    4.1962   -1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2988    2.9669   -1.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9376    3.8022   -0.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1764    2.1303    0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6874   -0.2519    0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1907   -1.5110   -0.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4251   -3.2331   -1.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6409   -5.3653   -1.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9729   -7.1700   -0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5288   -8.0647    1.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1213   -8.7690    3.2003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4342   -5.6726    3.3460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0462   -3.7930    1.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8184    0.6581   -0.7328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  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
 10 20  2  0  0  0  0
 11 12  2  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 2253👍, 0💬