Molecule FYI-1007824

A

Molecule Summary:

ID: FYI-1007824
Names:
InChIKey: FCCXOPPHDPMXIV-UHFFFAOYSA-N
SMILES: Clc4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2Cl)n3)c4

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007824 Edit

Molecule Structure InChIKey: FCCXOPPHDPMXIV-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2Cl)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007824
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0623    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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  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  6  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 21  1  0  0  0  0
 23 19  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-1007824-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    5.8910  -10.9032    4.0020 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3597   -9.5194    3.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2371   -9.6199    2.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8007   -8.5007    1.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4764   -7.2872    1.7386 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5818   -7.1649    2.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2588   -5.9395    2.7587 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6628   -4.6772    2.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3789   -4.5642    3.1529 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8451   -3.3407    3.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5391   -2.2107    2.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8576   -2.3924    2.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6394   -1.2373    2.2581 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0484   -1.1838    2.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7560   -1.8821    3.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1497   -1.8787    3.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9044   -1.1837    2.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2805   -1.2121    2.3755 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1323   -0.1118    1.9087 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0493   -0.5985    0.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8151   -1.7477    1.1811 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9380   -2.8282    1.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0107   -2.4469    2.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1925   -0.4671    1.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7894   -0.4634    1.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9932    0.4302    0.0805 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4205   -3.6227    2.4483 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0440   -8.3088    3.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6975  -10.5574    2.2149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9294   -8.5627    0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161   -6.4226    1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1334   -5.8735    2.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8105   -3.2925    3.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0879   -1.2289    2.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160   -0.5918    1.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2200   -2.4321    4.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6402   -2.4144    4.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7499    0.2082    2.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5641    0.7671    1.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7572    0.1919    0.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4716   -0.8513   -0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5613   -3.6815    1.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3556   -3.1206    0.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6072   -2.2611    3.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3496   -3.2961    2.9136 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7253    0.0682    0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9058   -8.2424    3.9142 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  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  2  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  2  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 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1236👍, 0💬