Molecule FYI-1002683

A

Molecule Summary:

ID: FYI-1002683
Names:
InChIKey: BDUHCSBCVGXTJM-PLYLYKGUSA-N
SMILES: COc5ccc(C3=NC(c1ccc(Cl)cc1)[C@@H](c2ccc(Cl)cc2)N3C(=O)N4CCNC(=O)C4)c(OC(C)C)c5

Received at FYIcenter.com on: 2023-04-18

Molecule ID: FYI-1002683 Edit

Molecule Structure InChIKey: BDUHCSBCVGXTJM-PLYLYKGUSA-N

Molecule Structure SMILES String: COc5ccc(C3=NC(c1ccc(Cl)cc1)[C@@H](c2ccc(Cl)cc2)N3C(=O)N4CCNC(=O)C4)c(OC(C)C)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002683
FYIcenter.com

 40 44  0  0  1  0  0  0  0  0999 V2000
   13.8702    4.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6557    3.7575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4414    4.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2269    3.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0441    4.4851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0125    5.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7980    6.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2798    8.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  9  8  1  0  0  0  0
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 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 40 35  2  0  0  0  0
 40  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002683-3D
FYIcenter.com

 70 74  0     1  0  0  0  0  0999 V2000
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M  END
$$$$

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2023-04-25, 440👍, 0💬