Molecule Editor

Molecule ID: FYI-1008703 Edit

Molecule Structure InChIKey: YBIICEOPFRCMOT-PKNBQFBNSA-N

Molecule Structure SMILES String: COc4ccc(/C=C/C(=O)c1ccccc1NC(=O)CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008703
FYIcenter.com

 38 41  0  0  0  0  0  0  0  0999 V2000
    2.4250   10.1246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   12.2246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   12.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688   10.3920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   11.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688   12.6572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917   11.5246    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251   14.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5982    2.4205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9982    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6944    3.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9906    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    8.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   13.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7020    1.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0057    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0943    3.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7982    2.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
  4 11  2  0  0  0  0
  2 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 22 23  1  0  0  0  0
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 26 27  1  0  0  0  0
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  1 33  1  0  0  0  0
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 30 35  1  0  0  0  0
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 31 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008703-3D
FYIcenter.com

 63 66  0  0  0  0  0  0  0  0999 V2000
   10.6244   -3.7130    4.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6122   -3.3657    3.9934 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8952   -2.2280    4.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1218   -1.4801    5.4226 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4891   -0.2539    5.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6163    0.2708    4.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0007    1.6035    4.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7105    2.1477    6.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0364    3.4809    6.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0297    4.3119    5.2484 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4160    3.7522    7.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9123    2.6461    8.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4983    2.7824    9.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6175    4.0133   10.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0737    5.1179    9.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4345    5.0300    8.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8325    6.2030    7.3575 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    7.3977    7.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2942    7.5562    9.1947 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5951    8.5354    7.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7340    8.4653    5.4540 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0707    8.5804    5.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5488    8.7261    7.1014 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2019    8.7855    6.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$