Molecule Editor

Molecule ID: FYI-1014227 Edit

Molecule Structure InChIKey: QDQANSGNNBYYPT-GCNYQIMJSA-N

Molecule Structure SMILES String: CC[C@H]4[C@@H](C)[C@H](Nc1ccc(Cl)cc1)c3cc(c2ccc(C(=O)O)cc2)ccc3N4C(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014227
FYIcenter.com

 33 36  0  0  1  0  0  0  0  0999 V2000
   12.1243    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  6  0  0  0
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  6  4  1  0  0  0  0
  6  7  1  1  0  0  0
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 10  9  1  0  0  0  0
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 30  3  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014227-3D
FYIcenter.com

 60 63  0  0  1  0  0  0  0  0999 V2000
    5.4744   -0.5667   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -1.5180   -0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975   -1.3974    0.4996 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9183   -2.3432    0.1646 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2110   -1.8850   -1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4639   -3.7820    0.1734 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4254   -4.8056   -0.0639 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0722   -5.1444   -1.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -5.1406   -2.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5676   -5.3217   -3.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2311   -5.5832   -4.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3110   -5.6861   -5.6578 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6667   -5.7466   -2.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411   -5.5453   -1.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2054   -4.0375    1.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4622   -5.3736    1.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2398   -5.6976    3.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4512   -7.0978    3.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5242   -8.1527    2.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6928   -9.4775    2.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025   -9.7811    4.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9934  -11.1975    4.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$