Molecule FYI-1001426

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A

Molecule Summary:

ID: FYI-1001426
SMILES: N#CC1SC(=NC=1)N2C(=NC=N2)[C@H](C)NC(=O)C3=CC(C(F)F)=CC(C(F)F)=C3

Received at FYIcenter.com on: 2022-07-25

Molecule ID: FYI-1001426 Edit

Molecule Structure SMILES String: N#CC1SC(=NC=1)N2C(=NC=N2)[C@H](C)NC(=O)C3=CC(C(F)F)=CC(C(F)F)=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001426
FYIcenter.com

 32 34  0  0  1  0  0  0  0  0999 V2000
   12.1428   10.9470    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.8517    9.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5202    9.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    7.7756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    6.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    7.2715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8920    8.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    5.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    3.5077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153    3.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7846    1.9376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    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
    7.2747    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.3876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.8124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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  5  1  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
 12 11  1  0  0  0  0
 13 22  1  0  0  0  0
 13 30  2  0  0  0  0
 15 11  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 16 18  1  1  0  0  0
 14 31  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29 24  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001426-3D
FYIcenter.com

 41 43  0  0  1  0  0  0  0  0999 V2000
    0.2981   -0.2578   -0.7767 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4188    0.0360   -0.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7921    0.3777   -0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4404    1.9326   -0.6545 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9829    1.3603   -1.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0623    0.0857   -1.4263 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8046   -0.4818   -1.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0788    2.2285   -1.1396 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3769    2.0047   -1.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0964    3.1026   -1.3946 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1954    3.9845   -0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9624    3.5126   -0.7094 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375    0.7203   -2.1854 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2510   -0.2934   -1.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9702    1.0269   -3.0503 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2248    0.2902   -4.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4985   -0.6197   -4.5689 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4480    0.6313   -4.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5862    1.1685   -4.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7550    1.3944   -5.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0029    1.9044   -4.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7872    2.6538   -5.2372 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7364    2.6903   -3.3350 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7719    1.0641   -6.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6412    0.5200   -7.0838 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6967    0.0915   -8.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5067    0.2302   -9.1755 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6014    0.8006   -9.2606 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4825    0.3061   -6.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6832   -1.5327   -1.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4440    5.0081   -0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0518    0.2965   -2.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0753    0.0853   -0.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5869   -1.2281   -1.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4234   -0.5335   -0.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5064    1.8561   -2.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5920    1.3818   -3.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5989    1.0541   -4.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6814    1.2270   -7.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9850   -0.9634   -8.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6000   -0.1298   -6.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 31  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13  9  1  0  0  0  0
 13 32  1  6  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 29  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 40  1  0  0  0  0
 29 41  1  0  0  0  0
M  END
$$$$

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2022-10-01, 1367👍, 0💬