Molecule FYI-1007911

A

Molecule Summary:

ID: FYI-1007911
Names:
InChIKey: IKKIADWGAXTVSM-UHFFFAOYSA-N
SMILES: Clc4cccc(Nc3nccc(Nc1cc(Cl)ccc1CN2CCOCC2)n3)c4

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007911 Edit

Molecule Structure InChIKey: IKKIADWGAXTVSM-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4cccc(Nc3nccc(Nc1cc(Cl)ccc1CN2CCOCC2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007911
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2125   12.5999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   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
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.5000    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
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    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
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  7  2  1  0  0  0  0
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  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
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 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  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
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007911-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   -1.2007    2.4019   -0.8111 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1925    1.3273    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2977    1.2760    1.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5334    0.4182    2.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4770   -0.3718    1.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5804   -0.3461    0.1247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191   -1.1012   -0.5832 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7396   -1.7013   -0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1116   -2.6269   -1.1683 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3276   -3.1725   -1.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2017   -2.8167   -0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7511   -1.8747    0.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5214   -1.5312    2.0105 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9268   -1.5425    2.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7818   -0.8638    1.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1584   -0.7622    1.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1734    0.1199    0.5230 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7123   -1.3359    2.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8774   -1.9600    3.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4819   -2.0361    3.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6336   -2.5924    4.5608 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4680   -1.6348    5.6707 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7693   -2.2485    6.8203 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2586   -2.4335    6.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225   -1.1898    6.2885 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2187   -0.5726    5.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7400   -0.4034    5.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -1.3211    0.7655 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7288    0.5172   -0.5887 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1042   -1.0449    2.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7801   -1.2674    2.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9107   -1.5819    7.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2348   -3.2019    7.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7622    0.4171    5.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9569   -1.1509    4.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9171    0.3236    6.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1622    0.0638    4.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7947    0.5729   -1.6741 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 29  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 29  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 28  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 28  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 20  2  0  0  0  0
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 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
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 19 39  1  0  0  0  0
 20 21  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
 22 27  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 25  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
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 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 137👍, 0💬