Molecule Editor

Molecule ID: FYI-1013041 Edit

Molecule Structure InChIKey: WRZQITGDMVDONB-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc6ccc(Nc4nnc(c3ccc(C)c(S(=O)(=O)NCc2nc1ccccc1[nH]2)c3)c5ccccc45)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1013041
FYIcenter.com

 39 44  0  0  0  0  0  0  0  0999 V2000
    5.5281    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3779   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9530   11.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   11.0695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   10.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    8.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    9.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6530   12.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2530   12.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.9000    0.0000 N   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  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  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
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 23 17  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
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 35 27  1  0  0  0  0
 36 24  2  0  0  0  0
 37 24  2  0  0  0  0
 38 16  1  0  0  0  0
 39 38  2  0  0  0  0
 39  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013041-3D
FYIcenter.com

 65 70  0     0  0  0  0  0  0999 V2000
   -4.3783    1.8353    1.5133 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0367    0.3392    2.0096 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4019   -1.9628    1.2864 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4568   -2.0690    0.4462 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9373    0.0521    0.1885 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4164    0.9852    0.4696 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2707    0.0062    0.4490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2880    1.3560    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0222    1.0770   -0.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7714    0.8846   -0.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9131    1.4524    0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.1767   -0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1527   -0.7180    2.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1529    2.3108   -0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5055    0.6055   -1.7796 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5289    2.2636   -0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7040   -1.5888    1.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2373    0.7691   -1.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0350    1.0865    0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5959   -2.8023   -0.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3062   -0.1021    0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863   -4.1376   -1.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 43  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
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  6 20  2  0  0  0  0
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  7 14  2  0  0  0  0
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M  END
$$$$