Molecule FYI-1007882

A

Molecule Summary:

ID: FYI-1007882
Names:
InChIKey: BGLZLLJTESXPTE-UHFFFAOYSA-N
SMILES: Fc4ccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2)n3)cc4

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007882 Edit

Molecule Structure InChIKey: BGLZLLJTESXPTE-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4ccc(Nc3nccc(Nc2ccc(CN1CCOCC1)cc2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007882
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   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
    1.2125    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    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
    1.2125    2.8000    0.0000 N   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
    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
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007882-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
  -12.8530   -1.9449   -0.7162 F   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9877   -1.0168   -1.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6724   -1.0522   -0.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7676   -0.0961   -1.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1691    0.8862   -2.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2854    1.8614   -2.5786 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9179    1.6896   -2.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4449    0.4836   -3.1594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1238    0.3733   -3.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2552    1.4229   -3.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8188    2.6376   -2.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9480    3.7414   -2.6404 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3436    5.1003   -2.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8161    6.0017   -1.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2663    7.3293   -1.6782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2295    7.7977   -2.5832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9167    9.1306   -2.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3862   10.3594   -2.9414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3425   10.4608   -4.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0150   10.0137   -5.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8771   10.6202   -4.4036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758   10.4066   -2.9874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1718   10.9094   -2.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6715    6.9217   -3.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2293    5.5933   -3.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1427    2.7792   -2.6669 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5145    0.9324   -2.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4195   -0.0301   -2.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3541   -1.8235   -0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7398   -0.1322   -0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4040    2.7747   -2.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7792   -0.6126   -3.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1933    1.3009   -3.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3556    3.5297   -1.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0922    5.6691   -0.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8975    7.9792   -0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0131    9.2719   -1.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9589    9.0242   -2.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4720   11.5263   -4.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1914    9.9517   -4.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9991   10.3352   -6.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9047    8.9253   -5.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0326   10.9740   -2.5791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888    9.3511   -2.7735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2142   11.9970   -2.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1552   10.7657   -1.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4103    7.2434   -4.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6168    4.9251   -4.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8511    1.6957   -3.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4511   -0.0221   -2.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  2  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

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2024-04-14, 536👍, 0💬