Molecule FYI-1013559

A

Molecule Summary:

ID: FYI-1013559
Names:
InChIKey: OMJHYGQXULQISO-HUUCEWRRSA-N
SMILES: COc2ccc(C[C@@H](C)N[C@H](C)c1ccccc1)cc2

Received at FYIcenter.com on: 2025-01-08

Molecule ID: FYI-1013559 Edit

Molecule Structure InChIKey: OMJHYGQXULQISO-HUUCEWRRSA-N

Molecule Structure SMILES String: COc2ccc(C[C@@H](C)N[C@H](C)c1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013559
FYIcenter.com

 20 21  0  0  1  0  0  0  0  0999 V2000
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   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
    3.6373    4.2000    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
    1.2125    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
    1.2125    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
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   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  1  0  0  0  0
  9  8  1  0  0  0  0
  8 10  1  6  0  0  0
 11 10  1  1  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  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 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19  6  1  0  0  0  0
 20 19  2  0  0  0  0
 20  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013559-3D
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
    5.2871   -0.8125    0.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0058    2.0367    0.2792 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6876    1.4881    0.6110 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6582    1.2234   -0.7333 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1701    1.4025   -0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0543    2.3738    1.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8569   -0.2018   -0.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5394    0.8095   -0.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9812    1.8732   -1.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950    1.6459   -0.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146   -0.5598   -0.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1011   -0.4352    1.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7898   -1.2342   -1.1744 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8600    1.0982    0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9797   -1.1077   -0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2841   -1.7466    1.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9730   -2.5456   -0.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0524   -0.2786   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2201   -2.8017    0.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4136   -2.2274    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7510    0.4936    1.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0930    1.2229   -1.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803    2.3970   -1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2688    0.7715   -1.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9051    2.9936   -0.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7355    2.4992    2.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1843    3.3708    1.2975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625    1.9297    2.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4787    1.2902   -1.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8206    2.8848   -1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6758    1.9435   -0.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583    2.7198   -0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8843   -1.2137   -0.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1865    0.3648    1.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -1.0446   -2.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6921    1.7491    0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0585   -2.1844   -0.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4831   -1.9460    2.5719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9236   -3.3672   -1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3643   -3.8226    0.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8105   -2.7575    0.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4606   -2.4786    0.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1945   -2.5561   -0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 25  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  5  8  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 14  1  0  0  0  0
 10 32  1  0  0  0  0
 11 15  2  0  0  0  0
 11 33  1  0  0  0  0
 12 16  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  2  0  0  0  0
 13 35  1  0  0  0  0
 14 18  2  0  0  0  0
 14 36  1  0  0  0  0
 15 18  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  2  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$

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2025-02-16, 413👍, 0💬