Molecule Editor

Molecule ID: FYI-1003733 Edit

Molecule Structure InChIKey: UJXQJIRQOGZARO-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5cc(c4nc3cc(NC(=O)Nc2ccc1OC(C)(C)C=Cc1c2OC)ccc3[nH]4)cc(OC)c5OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003733
FYIcenter.com

 39 43  0  0  0  0  0  0  0  0999 V2000
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    9.8870    3.8249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8558    1.2923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0788    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7788    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2497    1.7249    0.0000 C   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  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
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  9  8  1  0  0  0  0
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 17 16  1  0  0  0  0
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 21 18  2  0  0  0  0
 21 10  1  0  0  0  0
 22  9  2  0  0  0  0
 22  6  1  0  0  0  0
 23  7  1  0  0  0  0
 24 23  2  0  0  0  0
 24  4  1  0  0  0  0
 25  2  1  0  0  0  0
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 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 39 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003733-3D
FYIcenter.com

 69 73  0  0  0  0  0  0  0  0999 V2000
    4.9264    1.9283   -5.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8585    3.0153   -2.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583    4.3857   -2.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688    5.3547   -3.0986 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7664    6.4616   -2.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9887    8.7037   -1.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9723   15.3036   -5.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6042   17.1299   -7.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$