Molecule FYI-1006656

A

Molecule Summary:

ID: FYI-1006656
Names:
InChIKey: YFDRVUYGJJBGOU-GHXNOFRVSA-N
SMILES: Cc4cc(C)c(C=c2c(=O)[nH]c3ncnc(Nc1ccc(F)c(Cl)c1)c23)[nH]4

Received at FYIcenter.com on: 2024-01-09

Molecule ID: FYI-1006656 Edit

Molecule Structure InChIKey: YFDRVUYGJJBGOU-GHXNOFRVSA-N

Molecule Structure SMILES String: Cc4cc(C)c(C=c2c(=O)[nH]c3ncnc(Nc1ccc(F)c(Cl)c1)c23)[nH]4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006656
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.9053   11.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282   10.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282   10.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5608    9.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8923    8.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    7.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    6.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    8.2421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    3.2883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    2.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    2.5391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    4.1615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3125    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799    1.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8166    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1859    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1228    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6187    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9880    2.6630    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6818    3.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    4.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2956    9.2262    0.0000 N   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  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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  1  0  0  0  0
 13 12  2  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  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 25 18  1  0  0  0  0
 26 16  2  0  0  0  0
 26 12  1  0  0  0  0
 26  8  1  0  0  0  0
 27  6  1  0  0  0  0
 27  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006656-3D
FYIcenter.com

 42 45  0     0  0  0  0  0  0999 V2000
   -5.5647    0.3519    2.1426 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.2000    2.5209    0.2248 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497   -1.4668    0.5693 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2357    1.6925    1.0055 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557   -3.0026    0.5318 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4394   -0.0939   -0.8709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785   -3.9504    0.2631 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9725   -2.3690   -0.4680 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4810   -0.8492   -0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630   -1.6353   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935    1.1400   -0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6996    0.4445   -0.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9877    1.3297   -1.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5890   -2.9311    0.2180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5834   -1.7611    0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402   -1.3912   -0.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4693    2.2850    0.9289 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600    2.0751   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0969    0.8796   -2.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0529    2.9938    2.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6324    0.5575   -0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5330   -3.5969   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4209    0.1802    0.5084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0832    1.6124   -1.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6200    0.8361    0.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2821    2.2683   -1.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0505    1.8802   -0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8868    1.0909   -0.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6367    1.6847    1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4104   -3.8583    0.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9151    2.4218   -0.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0180    1.2439   -2.9215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1031   -0.2140   -2.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2532    1.2490   -3.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8439    0.3449   -1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4122    3.8267    2.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1700    2.3161    2.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0396    3.4007    1.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775   -4.3840   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0939   -0.6160    1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4963    1.9278   -2.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6176    3.0813   -1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 27  1  0  0  0  0
  3 15  2  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  4 29  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 30  1  0  0  0  0
  6 16  1  0  0  0  0
  6 21  1  0  0  0  0
  6 35  1  0  0  0  0
  7 14  1  0  0  0  0
  7 22  2  0  0  0  0
  8 16  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 15  1  0  0  0  0
 10 14  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  1  0  0  0  0
 23 40  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
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 214👍, 0💬