Molecule Editor

Molecule ID: FYI-1005538 Edit

Molecule Structure InChIKey: MCKJVVXXLBQMFM-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(C(C)COC(=O)Nc3ccc(O)c(Cn2ccc1cccc(C)c12)c3)no4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005538
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   14.5202    7.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    7.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1910    8.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    8.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5857    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6490    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4776    1.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.8553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.3553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0584    6.8630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    6.5719    0.0000 O   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  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  1  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
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  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 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
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 27 13  1  0  0  0  0
 28  8  2  0  0  0  0
 29  5  1  0  0  0  0
 30  4  2  0  0  0  0
 31 30  1  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005538-3D
FYIcenter.com

 56 59  0  0  1  0  0  0  0  0999 V2000
   -5.1076   -1.3161    5.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7526   -1.6177    4.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3464   -2.7289    3.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7474   -2.3138    2.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4547   -3.1086    1.2967 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.8030   -2.4843    0.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6014   -3.2695    0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3976   -6.0245    0.1208 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2991   -7.4224    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3047   -8.0229    0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9615  -10.1727    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7162  -11.5066   -0.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9919   -9.6001   -0.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$