Molecule Editor

Molecule ID: FYI-1005067 Edit

Molecule Structure InChIKey: AHJRHEGDXFFMBM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c5c(C)c3cnc(Nc2ccc(N1CCNCC1)cn2)nc3n(C4CCCC4)c5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005067
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.6373    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6544    0.0000 C   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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  2  1  0  0  0  0
 12  7  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
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 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
 26  6  1  0  0  0  0
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 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 26  1  0  0  0  0
 31  3  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005067-3D
FYIcenter.com

 62 66  0     0  0  0  0  0  0999 V2000
   -3.9882    2.3983   -0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7648    0.8986    1.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3984    0.7200   -0.0105 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7898   -1.0513    0.0290 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5739    0.0584    0.0414 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9182    1.6708   -0.1904 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4654   -3.3469    0.0846 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8049   -2.7696    0.0822 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -0.6890    0.0353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2929    1.6345   -0.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0936   -0.6690    0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7015    1.1993   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7454   -2.9189    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5923   -2.2336   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$