Molecule FYI-1002584

A

Molecule Summary:

ID: FYI-1002584
Names:
InChIKey: IMECYHCQLMJDKC-UHFFFAOYSA-N
SMILES: Cc3cccc(NC(=O)c1ccccc1NC(=O)c2cccc(F)c2F)c3

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

Molecule ID: FYI-1002584 Edit

Molecule Structure InChIKey: IMECYHCQLMJDKC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cccc(NC(=O)c1ccccc1NC(=O)c2cccc(F)c2F)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002584
FYIcenter.com

 27 29  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 C   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
    6.0622    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    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 25  1  0  0  0  0
 27 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002584-3D
FYIcenter.com

 43 45  0     0  0  0  0  0  0999 V2000
   -0.1546   -1.4013    1.5421 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4998   -3.5510    1.8026 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1482    2.7278    1.7169 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4088   -1.5390   -0.7249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6950   -0.0880   -0.0296 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7039    1.6965   -0.3161 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5742    2.3281    0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2937    1.1730   -0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1061    1.5258   -0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1760    2.2661    0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1915    3.5762    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304    1.2661   -0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984    0.7630   -1.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8178    0.9307   -1.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2653   -1.3294   -0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -2.4985   -0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7750    1.9532    0.9377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5283    3.6693   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2478    2.5144   -0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8676    1.1904    0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1558    1.7855    1.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9602    0.1265   -2.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3342   -2.4748    0.7596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5365   -3.6211   -0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5140   -3.5736    0.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883   -4.7199   -0.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3370   -4.6961    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7198   -0.0866    0.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3012    1.3661   -1.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6428    4.4853    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2620    0.4259   -0.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2967    0.5948   -2.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2947    2.4214    1.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0089    4.6412   -0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2891    2.5885   -0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9428    1.0637    0.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6778    2.1175    1.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9777   -0.9601   -2.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5069    0.3575   -3.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9923    0.4918   -2.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3257   -3.6573   -1.7411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -5.5936   -1.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9980   -5.5512    0.1937 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 25  1  0  0  0  0
  3 10  2  0  0  0  0
  4 15  2  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 28  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 29  1  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 17  2  0  0  0  0
 11 18  1  0  0  0  0
 11 30  1  0  0  0  0
 12 19  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  2  0  0  0  0
 13 20  1  0  0  0  0
 13 22  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 17 21  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 41  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-17, 1571👍, 0💬