Molecule Editor

Molecule ID: FYI-1002994 Edit

Molecule Structure InChIKey: ZXMXRXCCHDGDFA-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5cccc(c4cc(Nc1cc(O)cc(O)c1C(=O)N3Cc2ccccc2C3)n(C)n4)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002994
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    6.8992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    7.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9136    8.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    9.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2855    8.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    6.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0349    5.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4043    6.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1043    4.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8125    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4202    1.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2812    4.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6736    4.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4118    7.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6213    9.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4887   10.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2098    9.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0634    8.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1960    7.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3424    6.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1675    3.9291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4586    2.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8885    4.4986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
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 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
 31 23  1  0  0  0  0
 32 11  1  0  0  0  0
 33 32  1  0  0  0  0
 34 32  1  0  0  0  0
 34  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002994-3D
FYIcenter.com

 58 62  0     0  0  0  0  0  0999 V2000
    3.6183    1.4055   -2.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    3.1986    0.6201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2275    4.7509    1.5192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8351    0.7068    1.4370 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5514   -0.0374   -0.3316 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3786    0.9389   -1.3462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1661   -0.7160   -2.2103 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3742   -1.2704   -2.0122 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3835   -1.0813   -0.9418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0948   -0.4136    1.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4092   -2.1605    0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6666   -1.7793    1.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2223    1.1169   -1.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0424   -3.3894    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5413   -2.6180    2.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3133    2.0634   -0.3653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9332    1.9554   -0.5365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9214   -4.2436    1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1766   -3.8610    2.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8392    3.0745    0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8454    0.2471   -1.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0790    2.8586    0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$