Molecule Editor

Molecule ID: FYI-1007278 Edit

Molecule Structure InChIKey: ITCQJTUPXAHBHJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCSCCS(=O)(=O)N6CC5(CN(C(=O)CCCNC(=O)CCn4cnc3c(c2ccc1cc(O)ccc1c2)cc(N)cc3c4=O)C5)C6

Download SDF Download SVG Structure in 2D SDF:

FYI-1007278
FYIcenter.com

 88 93  0  0  0  0  0  0  0  0999 V2000
    6.5842   14.4211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6028   12.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0683   11.9726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4659   12.7866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8698   11.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2675   12.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6712   11.9944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0689   12.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4728   12.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8704   12.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2743   12.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6720   12.8300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2359   12.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6486   13.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2125   13.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6250   15.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0226   15.9468    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.4202   16.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8242   15.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8368   14.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2084   17.3444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0611   15.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0845   14.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2804   10.3983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2612   14.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0683   10.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1569   10.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7561    7.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1569    7.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1569    5.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7561    4.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7820    2.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3295    2.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3357    0.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8705    2.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8836    4.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3554    5.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3554   10.3215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3554   11.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9546   12.7478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7561   12.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6562    2.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4692    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   33.1818   17.9935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 16 22  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 12 23  1  0  0  0  0
 11 24  2  0  0  0  0
  6 25  2  0  0  0  0
  3 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
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 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
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  4 46  1  0  0  0  0
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 82 86  1  0  0  0  0
 82 87  1  0  0  0  0
 82 88  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007278-3D
FYIcenter.com

 88 93  0  0  0  0  0  0  0  0999 V2000
   11.7026   -3.2967   13.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6674   -3.0807   12.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9813   -2.1405    9.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3588   -1.4721    8.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9112   -1.3822    7.4551 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4682   -2.7259    7.1566 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9972   -0.4123    8.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5173   -0.7257    5.9985 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1199    0.6618    5.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8126    1.1161    5.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8667    1.8572    6.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8434   12.9178    5.3707 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6942   13.8398    4.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4931   16.6648    7.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3755   17.6919    6.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287   18.5974    7.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9336   19.5771    6.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0325   19.6781    5.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8413   20.6427    4.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9046   20.7075    3.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6817   21.6351    2.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1818   19.8291    2.4528 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3811   18.8599    3.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2927   18.7822    4.4524 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4724   17.8245    5.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8326   16.9669    8.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9623   16.0716    8.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4757   16.3468   10.2180 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4018   14.4940    7.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7516    2.1918    4.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5404   -0.3154    4.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2452   -3.8017   14.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1138   -2.3464   13.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5297   -3.9242   13.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8468   -2.4675   12.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2628   -4.0456   12.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1147   -2.0521    7.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9717    0.6553    5.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4271    1.1080    6.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2005    2.0468    7.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8252    1.5240    6.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7475    5.0583    3.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5643    6.9737    5.2597 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0041    9.1575    4.9957 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6596   11.6856    4.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7146   11.3408    4.3206 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$