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
    7.7543    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4228    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
  8  2  1  0  0  0  0
  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
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  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  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
   -4.4626    1.8817    0.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    6.7339    0.5560   -0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7775    1.8258    0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5096    1.7128   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5532    2.9827    0.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9193    2.9262    0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2984    0.0376    1.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0086   -0.3022   -1.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1668    0.9112   -0.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8962    2.2563   -0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8644    2.0896    1.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5889    3.7093    0.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3429    2.3509    1.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0420   -0.7693   -1.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0494    0.8930   -1.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2538   -3.3805    2.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763   -3.8373    1.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8270   -2.2252   -2.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9813   -3.7066   -1.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.5753    1.6863   -0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
  5 20  2  0  0  0  0
  6 25  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8 18  1  0  0  0  0
  8 20  1  0  0  0  0
  8 40  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 45  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 46  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 17  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 17 20  1  0  0  0  0
 17 37  1  0  0  0  0
 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
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 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
$$$$

✍: FYIcenter.com

2023-12-17, 279👍, 0💬