Molecule Editor

Molecule ID: FYI-1013259 Edit

Molecule Structure InChIKey: LGMSEZFXWYVKNG-UHFFFAOYSA-N

Molecule Structure SMILES String: C#Cc5ccc(Nc4nc(NCC1CCNCC1)c3cc(c2ccccc2)ccc3n4)cc5C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013259
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    9.6996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8499   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  4  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
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
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 23 16  1  0  0  0  0
 24 23  2  0  0  0  0
 24 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 28  1  0  0  0  0
 34 25  2  0  0  0  0
 34 11  1  0  0  0  0
 35  9  1  0  0  0  0
  6 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013259-3D
FYIcenter.com

 62 66  0  0  0  0  0  0  0  0999 V2000
    1.9269    3.1459   -5.7250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2274    2.6486   -4.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5847    2.0219   -3.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7790    1.3018   -3.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1519    0.6335   -2.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7509   -0.0034    0.1086 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4799   -1.2047    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1915   -1.4569    1.2837 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746   -2.6165    1.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1568   -1.6944    3.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0652    0.8039    3.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8171    0.7452    2.2911 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3545   -0.3520    1.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4596   -1.7047    2.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7769   -3.5893    0.3303 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4206   -4.8577    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3145   -5.7419   -0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0646   -7.0172   -0.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0  0  0  0
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M  END
$$$$