Molecule Editor

Molecule ID: FYI-1013192 Edit

Molecule Structure InChIKey: YAPWLFBRFIUVEU-CIAFOILYSA-N

Molecule Structure SMILES String: COc4cccc(/C=N/NC(=O)C23CC1CC(CC(C1)C2)C3)c4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1013192
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
   11.4414    1.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3708    2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3708    4.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3002    4.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2295    4.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2295    2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1590    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0884    2.9109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0178    2.2928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9471    2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9471    4.1472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8766    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6403    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0269    1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0443    2.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8162    3.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6018    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4947    1.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524    3.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3002    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3002    1.0566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3708    0.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 11  1  0  0  0  0
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 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
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 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 21 13  1  0  0  0  0
 22 17  1  0  0  0  0
 22 13  1  0  0  0  0
 23  7  2  0  0  0  0
 23  3  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013192-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
   -1.7329    2.4025    0.2505 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6066   -1.8931   -0.2835 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2575   -1.1101   -0.2430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6945    0.3379    0.0181 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5481    0.8708    0.0544 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0895    0.4472    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5254   -1.3199    1.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5111   -1.0787   -1.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6021    0.6889    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1906   -0.5580    1.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5973    1.1633    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4754   -2.6505    0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
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 13 35  1  0  0  0  0
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 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 43  1  0  0  0  0
 21 23  2  0  0  0  0
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 25 51  1  0  0  0  0
M  END
$$$$