Molecule FYI-1005560

A

Molecule Summary:

ID: FYI-1005560
Names:
InChIKey: CUTCHJVTZMIFEC-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(Nc1ccccc1C(=O)c2ccccc2)c(C=O)cc34

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005560 Edit

Molecule Structure InChIKey: CUTCHJVTZMIFEC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(Nc1ccccc1C(=O)c2ccccc2)c(C=O)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005560
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  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 14  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  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 16  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005560-3D
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
   -0.3956   -2.9759    0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813   -1.6334   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5780   -1.2649   -0.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7140    0.0316   -1.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7449    0.3250   -1.9796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6263    0.8832   -1.3223 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5404    0.5233   -0.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716    1.4658   -0.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742    1.2333    0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752    2.2329    0.0894 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6139    3.6437    0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4714    4.2274    0.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2367    5.6009    0.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1706    6.4360   -0.0294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3294    5.8936   -0.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5413    4.5010   -0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7525    3.9574   -1.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2442    2.9010   -0.8925 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3723    4.6630   -2.4510 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5932    5.3357   -3.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2015    5.9997   -4.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5878    5.9725   -4.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3678    5.2857   -3.6818 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 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  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
  7  8  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
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 23 43  1  0  0  0  0
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 25 28  2  0  0  0  0
 26 27  2  0  0  0  0
 26 45  1  0  0  0  0
 28 29  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 1548👍, 0💬