Molecule FYI-1005793

A

Molecule Summary:

ID: FYI-1005793
Names:
InChIKey: KBDAJTWWYRGANX-UHFFFAOYSA-N
SMILES: O=N(=O)c4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2ccccc2Cl)n3)c4

Received at FYIcenter.com on: 2023-11-15

Molecule ID: FYI-1005793 Edit

Molecule Structure InChIKey: KBDAJTWWYRGANX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)c4ccc(CN1CCOCC1)c(Nc3ccnc(Nc2ccccc2Cl)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005793
FYIcenter.com

 31 34  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
    2.4249    7.0000    0.0000 C   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    9.0999    0.0000 C   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
    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 N   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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 O   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 21  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
 29 18  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005793-3D
FYIcenter.com

 52 55  0  0  0  0  0  0  0  0999 V2000
    1.5427   -0.0095    0.7809 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4722   -0.5897    0.2009 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8672   -1.7312    0.4771 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1467    0.1253   -0.8885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6937    1.3891   -1.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2972    2.0295   -2.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3613    1.4291   -3.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8887    2.1371   -4.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2145    1.9078   -5.5744 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7720    2.1732   -5.6580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8573    0.9544   -5.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2506   -0.1683   -6.2258 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6140   -0.5213   -5.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5510    0.6527   -6.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833    0.1974   -2.5981 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1630   -0.2468   -3.0443 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5418   -1.6081   -3.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8771   -1.9468   -3.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -3.2522   -3.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2859   -4.1650   -3.8020 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0099   -3.7618   -3.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0682   -4.6878   -4.2687 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7395   -4.8454   -3.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3286   -4.3966   -2.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0411   -5.2481   -2.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6425   -1.4079   -1.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  4  5  1  0  0  0  0
  4 31  2  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 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
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 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
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 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 48  1  0  0  0  0
 25 26  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  2  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 2338👍, 0💬