Molecule FYI-1014033

A

Molecule Summary:

ID: FYI-1014033
Names:
InChIKey: XYQYBSKXSCORRK-UHFFFAOYSA-N
SMILES: Fc4ccc(Cc3nn2c(c1cccc(C(F)(F)F)c1)nnc2s3)cc4

Received at FYIcenter.com on: 2025-02-20

Molecule ID: FYI-1014033 Edit

Molecule Structure InChIKey: XYQYBSKXSCORRK-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4ccc(Cc3nn2c(c1cccc(C(F)(F)F)c1)nnc2s3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014033
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.6011    2.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6415    1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9730    1.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2641    3.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2236    4.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8922    3.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5148    5.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7937    6.2223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6474    7.6146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    6.6932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    6.9843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2766    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    8.9460    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0133    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9502    2.0808    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0538    0.1036    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0766    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  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 10  1  0  0  0  0
 11  7  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  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
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 13  1  0  0  0  0
 22 10  1  0  0  0  0
 23  3  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014033-3D
FYIcenter.com

 36 39  0     0  0  0  0  0  0999 V2000
   -1.8338   -3.0845   -0.3613 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8992    3.6362   -0.2156 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0391    3.0455   -1.1616 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491    3.2128    1.0037 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6800    2.4157    1.6162 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3841   -1.9195   -0.1211 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2771   -0.9841   -0.8380 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7644   -3.1629    1.0168 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5546   -3.8508    0.9123 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6386   -2.0055    0.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5487   -0.7742   -1.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6436   -0.9834    0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4708   -1.4733   -1.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2311   -3.0702    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3856    0.0796   -0.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2693    0.3578    0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2433    1.3472    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9947   -1.3322    0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5931    0.9969   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686   -0.3428    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0266    1.4027   -0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5082   -0.4659   -0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8425    2.7799   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8038    2.1941    0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2854    0.3255    0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9332    1.6554    0.8048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1779   -1.5001   -2.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0877   -0.1524   -2.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2312    0.6713    0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3093   -2.3707    0.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3663    1.7529   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0195   -0.6156    0.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1478    1.8318   -1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7958   -1.4989   -0.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5297    3.2295    0.3674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1654   -0.0932    1.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4 23  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 14  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 24  1  0  0  0  0
 21 33  1  0  0  0  0
 22 25  2  0  0  0  0
 22 34  1  0  0  0  0
 24 26  2  0  0  0  0
 24 35  1  0  0  0  0
 25 26  1  0  0  0  0
 25 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 912👍, 0💬