Molecule Editor

Molecule ID: FYI-1005769 Edit

Molecule Structure InChIKey: UNSIUCFBWITRMP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC4CCN(S(=O)(=O)c3ccc(C(=O)Nc2nnc(c1ccc(C(F)(F)F)cc1)o2)cc3)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005769
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
   13.0470    9.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3470   10.8783    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1346   10.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9222   10.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7098   10.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7098    8.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4974    8.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2849    8.7783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0725    8.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    8.6477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8102    3.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9261    6.6859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9222    8.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1346    8.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3470   12.2783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5595   12.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5595   14.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3470   15.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3470   16.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1346   14.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1346   12.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7470   10.8783    0.0000 O   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
  7  6  1  0  0  0  0
  8  7  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  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
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 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 22 13  1  0  0  0  0
 23 12  1  0  0  0  0
 23  9  1  0  0  0  0
 24  7  2  0  0  0  0
 25  6  1  0  0  0  0
 26 25  2  0  0  0  0
 26  3  1  0  0  0  0
 27  2  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 33 27  1  0  0  0  0
 34  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005769-3D
FYIcenter.com

 55 58  0     0  0  0  0  0  0999 V2000
    5.7871    0.9602   -1.8346 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8783    0.7892    0.4672 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8697    2.6726    0.8712 F   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1439    2.0098   -1.1756 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647    0.1011   -2.7810 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4515    2.3260   -2.1731 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7990   -2.9959    0.2561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7427   -0.5169   -0.0710 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6523    0.9517   -0.3548 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4356   -1.0555   -0.2093 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2042   -2.6024    0.5334 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5719   -2.4569    0.6725 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9820   -0.2886    1.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    2.0497    1.7868 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9296   -0.4001    0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6297    0.8429    3.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3054    0.1454   -1.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2075   -1.2431   -1.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2316    0.8899   -0.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0357   -1.8870   -1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9618   -1.1425   -0.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$