Molecule Editor

Molecule ID: FYI-1004293 Edit

Molecule Structure InChIKey: BXJLYMCBAYFKIY-GOSISDBHSA-N

Molecule Structure SMILES String: Cc5cc(O)c([C@@H]4c1c(N)c(C#N)c(N)nc1Oc3ccc2ccccc2c34)c(=O)o5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004293
FYIcenter.com

 31 35  0  0  1  0  0  0  0  0999 V2000
    4.6258    8.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4133    8.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2066    7.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0331    6.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9905    8.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0331    7.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2397    4.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0331    3.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0331    2.0899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8264    1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8264    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6198    2.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2066    0.6966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6198    3.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.5280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  1  0  0  0
 11 23  2  0  0  0  0
 12 10  1  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
 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
 21 12  2  0  0  0  0
 21 16  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  3  0  0  0  0
 30 27  2  0  0  0  0
 31 30  1  0  0  0  0
 11 30  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004293-3D
FYIcenter.com

 47 51  0  0  1  0  0  0  0  0999 V2000
   -0.5792    1.9287    3.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4796    0.9171    2.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6424    0.2987    1.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5572   -0.7671    0.8394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479   -1.3710    0.4853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6286   -1.2701    0.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7934   -2.6030   -0.2906 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4898   -2.4155   -1.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0765   -1.9044   -3.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$