Molecule FYI-1006296

A

Molecule Summary:

ID: FYI-1006296
Names:
InChIKey: AAOMGRBYWFVYQE-UHFFFAOYSA-N
SMILES: O=C4CCC(N3Cc2cc(CNC(=O)Nc1c(Cl)cccc1Cl)ccc2C3=O)C(=O)N4

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006296 Edit

Molecule Structure InChIKey: AAOMGRBYWFVYQE-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4CCC(N3Cc2cc(CNC(=O)Nc1c(Cl)cccc1Cl)ccc2C3=O)C(=O)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006296
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   17.4538    1.7641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.4538    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6663    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6663    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4538    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2414    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0290    5.9641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.2414    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0290    3.1641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8165    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8165    5.2641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6041    3.1641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3916    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4228    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9902    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    3.8641    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
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
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 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  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  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  2  0  0  0  0
 29 20  1  0  0  0  0
 29 17  1  0  0  0  0
 30 29  2  0  0  0  0
 31 18  2  0  0  0  0
 31 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006296-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
    7.5112   -0.9226   -0.5383 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0896    1.9485    0.8864 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6632   -1.8104    2.2951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5266   -0.9967   -1.2762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4873    3.1494   -0.8657 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9915   -0.0241   -1.5361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5106   -0.3567    0.4382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4611    1.0945   -1.0589 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9733   -2.0890   -0.4959 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5812   -0.5605    0.1055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7356    0.3913    0.5385 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5545   -0.1083   -0.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4817   -1.0964   -0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8077   -1.8308    0.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1067   -1.3621    1.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7805    2.6316    0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5714    0.0855   -0.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2988   -1.3397   -0.9986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6444    2.3431   -0.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9882   -2.8179    1.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5497   -2.3346   -0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2077   -3.0667    0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8364   -2.6235   -1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4789   -0.8016   -0.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3678    0.6125    0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4106   -2.6631    0.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0841   -1.4095    0.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1091    3.9364    0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5232    3.8269    0.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3 16  2  0  0  0  0
  4 18  2  0  0  0  0
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  6 25  2  0  0  0  0
  7 11  1  0  0  0  0
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 17 38  1  0  0  0  0
 19 22  2  0  0  0  0
 19 39  1  0  0  0  0
 21 23  2  0  0  0  0
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 29 47  1  0  0  0  0
 30 31  1  0  0  0  0
 30 48  1  0  0  0  0
 31 49  1  0  0  0  0
M  END
$$$$

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2023-12-17, 1083👍, 0💬