Molecule FYI-1007809

A

Molecule Summary:

ID: FYI-1007809
Names:
InChIKey: PZRXOALHORNHNC-UHFFFAOYSA-N
SMILES: Clc1ccccc1Nc4nccc(Nc3ccc(N2CCOCC2)cc3)n4

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007809 Edit

Molecule Structure InChIKey: PZRXOALHORNHNC-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc1ccccc1Nc4nccc(Nc3ccc(N2CCOCC2)cc3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007809
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 Cl  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
    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
    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
    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  7  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
 27 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007809-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
   -4.4947   -5.1427   -0.5812 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.5198   -5.0562    0.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6199   -5.9229    0.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4356   -6.0767    1.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1510   -5.3722    3.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0766   -4.4769    3.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2770   -4.2541    1.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2474   -3.2952    2.0954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7250   -2.4784    1.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440   -2.0955    1.2558 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8714   -1.4921    0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5136   -1.2555   -0.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8503   -1.6371   -1.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5818   -1.3841   -2.2023 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9754   -1.2142   -2.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7130   -0.5602   -1.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1051   -0.4415   -1.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8065   -1.0183   -2.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1806   -0.9775   -2.5695 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9844    0.1142   -2.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9499   -0.4061   -0.9422 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7359   -1.5106   -1.4228 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8774   -2.5954   -1.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9277   -2.1846   -2.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0559   -1.6554   -3.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6618   -1.7457   -3.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4479   -2.1904    0.0203 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8331   -6.4941   -0.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2806   -6.7597    1.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7705   -5.5054    3.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8952   -3.9107    3.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4526   -3.6282    2.6211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245   -1.2219    0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0049   -0.7935   -1.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0817   -1.5619   -3.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2061   -0.1217   -0.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6316    0.0611   -0.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5650    0.5386   -2.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3732    0.9284   -1.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6432    0.3917   -0.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4118   -0.7179   -0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5160   -3.4194   -2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3193   -2.9409   -0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5060   -1.9551   -3.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2714   -3.0315   -3.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5636   -2.0884   -4.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1304   -2.2621   -4.2009 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  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  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
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 26  2  0  0  0  0
 16 17  2  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1584👍, 0💬