Molecule Editor

Molecule ID: FYI-1012276 Edit

Molecule Structure InChIKey: KVQPEAZXSIHKKO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccc(O)c(C)c1n5c(N)c(C(=O)N3CCn2ncnc2C3)c4nc(C)c(C)nc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1012276
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
    3.9950    7.3256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.4867    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9948    6.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5642    7.7664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    6.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7795    7.4737    0.0000 C   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 17 16  1  0  0  0  0
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 23  2  1  0  0  0  0
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 28 27  2  0  0  0  0
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 31 29  2  0  0  0  0
 31 24  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012276-3D
FYIcenter.com

 56 60  0  0  0  0  0  0  0  0999 V2000
   -2.8306   -0.0357   -1.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4423    0.1041   -0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9670    1.4315   -0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2361    1.7642    0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0092    0.7592    0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$