Molecule Editor

Molecule ID: FYI-1003730 Edit

Molecule Structure InChIKey: XIQHEONRLVFRJJ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5c(NC(=O)Nc3ccc2[nH]c(c1ccccc1)nc2c3)ccc4OC(C)(C)C=Cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003730
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    8.6746    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8558    0.7798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6788    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7788    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1788    3.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3999    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    1.2124    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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 15 10  1  0  0  0  0
 16  9  2  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  2  0  0  0  0
 18  4  1  0  0  0  0
 19  2  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
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 31 24  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003730-3D
FYIcenter.com

 57 61  0  0  0  0  0  0  0  0999 V2000
    5.8585   -0.0514   -0.4138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7237   -0.9175   -0.4059 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1422   -1.2041    0.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0582   -0.3028    1.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4920    1.0235    1.8082 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4353    1.6305    2.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6748    2.8222    2.4291 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1304    0.7893    3.4441 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1591    1.2682    4.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    2.4035    5.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9622    2.9264    5.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1942    2.2779    5.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3960    2.5348    6.4290 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2984    1.5649    6.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6610    1.4793    6.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9663    1.9090    7.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2475    1.7294    8.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2414    1.1301    7.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9605    0.7247    6.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6769    0.8972    5.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7370    0.7326    5.1956 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4312    1.1419    5.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$