Molecule FYI-1007827

A

Molecule Summary:

ID: FYI-1007827
Names:
InChIKey: LRQKVEOMDKJWQO-UHFFFAOYSA-N
SMILES: Clc4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2Cl)n3)c4Cl

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

Molecule ID: FYI-1007827 Edit

Molecule Structure InChIKey: LRQKVEOMDKJWQO-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2Cl)n3)c4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007827
FYIcenter.com

 29 32  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
    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
    3.6373    4.9000    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
    4.8499    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    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
    7.2747    2.8000    0.0000 C   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
    8.4871    0.7000    0.0000 O   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
    6.0623    0.7000    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    6.3000    0.0000 Cl  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  9  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
 13  8  1  0  0  0  0
 14 12  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 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  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
 28  6  2  0  0  0  0
 28  2  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007827-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
   -0.5157  -12.2637   -0.9135 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5132  -10.6585   -1.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7235  -10.1335   -1.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7916   -8.8594   -2.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3723   -8.1033   -2.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6274   -8.5748   -2.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7901   -7.7835   -2.3000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9559   -6.4061   -2.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9388   -5.6384   -2.8716 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1396   -4.3169   -2.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3261   -3.7198   -2.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3443   -4.5670   -2.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6120   -3.9905   -2.0018 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8334   -4.6985   -1.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0943   -5.6851   -2.9191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2773   -6.4218   -2.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2548   -6.2067   -1.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3884   -6.9872   -1.8701 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6935   -6.5258   -1.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1818   -7.4243   -0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1907   -8.8115   -0.6226 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8668   -9.2330   -0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3265   -8.4266   -2.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.8231   -4.4375   -1.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5825   -3.2148    0.1915 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.1659   -5.9031   -2.1787 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853   -9.8903   -1.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2280  -10.5431   -1.2251 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6357  -10.7112   -1.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7453   -8.4411   -2.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.9133  -10.2943   -1.2533 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.3107   -8.7774   -2.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7274   -4.9796   -0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2 28  2  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 32  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 33  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 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 35  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 36  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 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  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 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 26  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$

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2024-03-23, 161👍, 0💬