Molecule Editor

Molecule ID: FYI-1002526 Edit

Molecule Structure InChIKey: WPBDFTNXGWBHOT-GCJKJVERSA-P

Molecule Structure SMILES String: CCc5nc(NC[C@@H](c1ccc(OC)cc1)[N@@H+]2CC[N@@H+](C)CC2)c4c3CC[C@@H](C)Cc3sc4n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002526
FYIcenter.com

 34 38  0  0  1  0  0  0  0  0999 V2000
    9.4084    2.2653    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.4346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.4346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0543    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9779    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    7.8346    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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  4  3  1  0  0  0  0
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  7  6  1  0  0  0  0
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  9  8  1  1  0  0  0
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 13 16  1  1  0  0  0
 17  9  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
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 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 24 17  1  0  0  0  0
 25  6  2  0  0  0  0
 25  2  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27  1  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
 31 26  1  0  0  0  0
 29 32  1  6  0  0  0
 33  4  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002526-3D
FYIcenter.com

 73 77  0  0  1  0  0  0  0  0999 V2000
   -0.4622   -1.2107   -1.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7603   -0.3182   -1.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1976    0.2708   -2.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1861   -0.3485   -3.2371 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2635   -1.5834   -4.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3334    0.9252   -6.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9455   -0.8296   -8.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1980   -5.2861   -7.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7486   -5.7890   -7.0549 N   0  3  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$