Molecule Editor

Molecule ID: FYI-1002921 Edit

Molecule Structure InChIKey: XNITYHSRLXTGKB-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccc4c(c1)c(=NNc2ccc(C(=O)O)cc2)c3cc(OC)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1002921
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
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    6.5083    1.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5549    3.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7559    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9087    5.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4358    5.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6346    7.6482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6871    4.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3270    3.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5128    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667    8.4554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8883   10.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8086   11.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3707   12.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1296   14.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6471    5.1207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6905   10.5380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3112   15.1050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5287   10.5761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8746   11.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4920   12.3047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8192   11.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
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  3 31  1  0  0  0  0
  5 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 14 35  1  0  0  0  0
 17 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
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 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002921-3D
FYIcenter.com

 46 49  0     0  0  0  0  0  0999 V2000
    0.6379   -4.4094    0.0138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9771    3.3207    0.0359 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7549    2.6509    1.5249 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8847    0.9055    0.6064 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2760    0.8071   -1.1775 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8252    0.0665   -1.4158 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3666   -1.5836    0.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2188   -0.4132    0.4270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1410   -1.2618   -0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379    0.6552   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146    0.1552   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5813   -2.8649    0.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5023   -0.2225    0.9080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1164   -2.1751   -0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0871    1.9132   -0.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1958   -0.3506   -1.1328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1751    1.5647   -0.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$