Molecule FYI-1002531

A

Molecule Summary:

ID: FYI-1002531
Names:
InChIKey: DFWSSMFRBCBOSY-ZYMOGRSISA-N
SMILES: COc4cc(c3nc(C2=CNC(C(=O)N[C@H](CO)c1cccc(Cl)c1)C2)n[nH]3)ccn4

Received at FYIcenter.com on: 2023-04-08

Molecule ID: FYI-1002531 Edit

Molecule Structure InChIKey: DFWSSMFRBCBOSY-ZYMOGRSISA-N

Molecule Structure SMILES String: COc4cc(c3nc(C2=CNC(C(=O)N[C@H](CO)c1cccc(Cl)c1)C2)n[nH]3)ccn4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002531
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
    8.4871   12.4414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   13.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   13.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   14.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   15.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498   10.3414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 15  1  0  0  0  0
 29 12  1  0  0  0  0
 30  8  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002531-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
   -3.0300   -5.8697    2.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4608   -6.8917    2.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0486   -6.4299    0.8808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4456   -7.3595    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0255   -6.9529   -1.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3452   -7.8700   -2.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3668   -7.8847   -3.4754 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4620   -8.9365   -3.8226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7059   -9.2644   -5.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9418  -16.2028   -7.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 34  1  0  0  0  0
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  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
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 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
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 28 50  1  0  0  0  0
 29 30  2  0  0  0  0
 29 51  1  0  0  0  0
 30 31  1  0  0  0  0
 30 52  1  0  0  0  0
M  END
$$$$

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2023-04-13, 499👍, 0💬