Molecule Editor

Molecule ID: FYI-1003732 Edit

Molecule Structure InChIKey: NRYUOBRNEDMWMG-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5c(NC(=O)Nc3ccc2[nH]c(c1ccc(F)cc1F)nc2c3)ccc4OC(C)(C)C=Cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003732
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    8.6746    1.7249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    3.8249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8558    1.2923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6788    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0788    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7788    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    1.0249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    1.7249    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
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 18  6  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  2  0  0  0  0
 20  4  1  0  0  0  0
 21  2  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003732-3D
FYIcenter.com

 57 61  0  0  0  0  0  0  0  0999 V2000
    4.0567    1.7731    1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5829    0.7989    0.2186 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1505    0.7192   -1.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3727   -0.5704   -1.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8806   -1.5934   -0.8092 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662   -2.5027   -1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0319   -3.4830   -0.3906 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082   -2.1171   -2.1408 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -2.8434   -2.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8230   -4.2275   -2.6532 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9790   -4.9691   -2.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1807   -4.2624   -2.9325 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4788   -4.6657   -3.0789 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3078   -3.5706   -2.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7717   -3.6590   -3.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5526   -2.5037   -2.8568 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9496   -2.5767   -2.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5705   -3.8041   -3.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9069   -3.8716   -3.1396 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.8254   -4.9624   -3.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4366   -4.8809   -3.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7381   -6.0176   -3.3679 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5825   -2.4755   -2.8050 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5440    0.1247   -3.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$