Molecule FYI-1003973

A

Molecule Summary:

ID: FYI-1003973
Names:
InChIKey: YVZIFGKVLFGCGM-UHFFFAOYSA-N
SMILES: Fc4c(F)c(F)c(CSc3nnc(c2ccc1ncccc1c2)o3)c(F)c4F

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

Molecule ID: FYI-1003973 Edit

Molecule Structure InChIKey: YVZIFGKVLFGCGM-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4c(F)c(F)c(CSc3nnc(c2ccc1ncccc1c2)o3)c(F)c4F

Download SDF Download SVG Structure in 2D SDF:

FYI-1003973
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.8967   12.1318    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967   10.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843   10.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719   10.7318    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    8.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    7.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    8.6318    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    7.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    8.5012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    7.4609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    6.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    6.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0765    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4688    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    7.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    6.5318    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    8.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3217    7.9318    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091   10.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3217   10.7318    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  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 13  1  0  0  0  0
 23  5  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  2  0  0  0  0
 27  2  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003973-3D
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2732    2.2614    1.9314 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1836    0.9315    1.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330    0.3798    1.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970    1.1782    0.5213 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0378   -1.0047    0.9152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9876   -1.5166    0.2209 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9880   -1.8646    1.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8988   -3.3624    1.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8195   -3.9079   -0.1638 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6909   -5.6404   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6905   -6.3193    0.4587 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9846   -7.6650    0.2757 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516   -7.7149   -0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9744   -8.8557   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2391   -8.6774   -1.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0356   -9.7781   -1.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6129  -11.0817   -1.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4267  -12.0981   -1.7995 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9911  -13.3587   -1.5856 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564  -13.6624   -1.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179  -12.6069   -0.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3359  -11.2817   -0.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5294  -10.1724   -0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -6.4641   -0.5895 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0422   -1.2820    2.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9760   -2.0675    2.7487 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1404    0.1016    2.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1584    0.6278    3.0423 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1516   -3.6637    1.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011   -3.8559    2.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6349   -7.6797   -1.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0182   -9.6107   -2.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6879  -14.1436   -1.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4551  -14.6936   -0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9421  -12.8230   -0.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5471  -10.3459   -0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  2  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 23 36  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 2794👍, 0💬