Molecule Editor

Molecule ID: FYI-1006060 Edit

Molecule Structure InChIKey: VESMNBJXHLZHQO-AIJKTPEZSA-O

Molecule Structure SMILES String: C[C@H]6CCC[N@@](Cc5cc4C(=O)[NH+](c3cccc([C@@]2(C1NNCN1C)C[C@H](C)C2)c3)Cc4c(C(F)(F)F)c5)C6

Download SDF Download SVG Structure in 2D SDF:

FYI-1006060
FYIcenter.com

 39 44  0  0  1  0  0  0  0  0999 V2000
   14.1499    2.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1499    3.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3661    4.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3661    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1499    6.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9338    6.0706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7176    6.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5014    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2853    6.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0691    6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7336    6.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7336    4.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0691    4.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2853    3.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2853    2.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6896    2.5599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2853    1.1556    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8810    2.5599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9338    4.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1918    7.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  1  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 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 19 18  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 18 25  1  6  0  0  0
 26 25  1  0  0  0  0
 26 27  1  6  0  0  0
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 29 13  2  0  0  0  0
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 37 32  1  0  0  0  0
 37  8  2  0  0  0  0
 38  6  1  0  0  0  0
 38  2  1  0  0  0  0
 11 39  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006060-3D
FYIcenter.com

 78 83  0  0  1  0  0  0  0  0999 V2000
    6.4603   10.0576   15.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3008    7.2372   13.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4559    8.8148   13.3199 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    8.7470   14.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$