Molecule FYI-1012752

A

Molecule Summary:

ID: FYI-1012752
Names:
InChIKey: PSOAKHROJUEQLA-UHFFFAOYSA-N
SMILES: CCOC(=O)c4cc(NC(=O)N(c1ccccc1)c2ccccc2)c3ccc(Cl)cc3n4

Received at FYIcenter.com on: 2024-10-18

Molecule ID: FYI-1012752 Edit

Molecule Structure InChIKey: PSOAKHROJUEQLA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c4cc(NC(=O)N(c1ccccc1)c2ccccc2)c3ccc(Cl)cc3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1012752
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  6  5  2  0  0  0  0
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  9  8  1  0  0  0  0
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 11  7  1  0  0  0  0
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 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 20  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012752-3D
FYIcenter.com

 52 55  0  0  0  0  0  0  0  0999 V2000
    3.0158    5.6653   -6.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264    4.3987   -6.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9871    3.4993   -5.5964 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8988    2.7459   -6.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1201    2.8052   -7.4677 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6197    1.8162   -5.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6233    1.0229   -5.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2846    0.1065   -5.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3331   -0.7181   -5.5697 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6166   -0.9291   -6.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9131   -0.4789   -7.8281 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7793   -1.6777   -7.1859 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3392   -2.6177   -6.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5954   -3.7163   -5.8378 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2139   -4.7040   -5.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5563   -4.5740   -4.7074 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2879   -3.4603   -5.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6857   -2.4905   -5.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1717   -1.8555   -8.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3326   -0.7375   -9.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700   -0.8909  -10.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8199   -2.1650  -11.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6499   -3.2852  -10.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3473   -3.1322   -9.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9062    0.0322   -3.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4479   -0.8655   -2.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0097   -0.8699   -1.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0233    0.0233   -0.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  2  0  0  0  0
  7  8  2  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  2  0  0  0  0
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 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  2  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 26  1  0  0  0  0
 25 31  2  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
 28 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$

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2024-10-25, 1237👍, 0💬