Molecule FYI-1002556

A

Molecule Summary:

ID: FYI-1002556
Names:
InChIKey: QLGXWIRHWTZCPS-UHFFFAOYSA-N
SMILES: Cc3cccc(NC(=O)c1ccccc1NC(=O)c2ccc(F)nc2)c3

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002556 Edit

Molecule Structure InChIKey: QLGXWIRHWTZCPS-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cccc(NC(=O)c1ccccc1NC(=O)c2ccc(F)nc2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002556
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    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
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   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
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 F   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  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002556-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
   -4.7217   -3.3998    0.5326 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    1.1112    1.7701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8281    2.3837   -0.6717 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    0.0884   -0.2192 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7726    1.4914    0.0389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8160   -1.1016    0.4453 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4605    2.4340    0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1052    2.5724   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235   -1.2450   -0.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0126    1.1624    0.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3186    3.5259    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3921    3.8028   -0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312   -3.4954   -0.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0848   -2.1826   -1.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0086   -1.6201    1.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212    4.7563   -0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4660    4.8948   -0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2164   -3.8708    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4550   -2.9330    1.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1413    1.4582   -0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8027    0.1428   -0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761   -4.4987   -1.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0847   -1.0439   -0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1538    0.0605    0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310   -2.2593    0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0853   -2.2343    0.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3892    0.2755   -1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3775    3.4325    0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250    4.0001   -0.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481   -1.8919   -1.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3523    0.6449    0.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2312   -0.9531    1.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4894    5.6065   -0.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0801    5.8540   -0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5676   -4.8909    0.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9882   -3.2265    2.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3010   -4.9719   -1.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2884   -4.0283   -2.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0461   -5.2777   -1.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -1.0689   -0.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7718    0.9479    0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1929   -3.1970   -0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 10  2  0  0  0  0
  3 20  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 27  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 31  1  0  0  0  0
  6 24  1  0  0  0  0
  6 26  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 28  1  0  0  0  0
 12 17  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 13 22  1  0  0  0  0
 14 30  1  0  0  0  0
 15 19  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 440👍, 0💬