Molecule FYI-1008703

A

Molecule Summary:

ID: FYI-1008703
Names:
InChIKey: YBIICEOPFRCMOT-PKNBQFBNSA-N
SMILES: COc4ccc(/C=C/C(=O)c1ccccc1NC(=O)CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc4OC

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008703 Edit

Molecule Structure InChIKey: YBIICEOPFRCMOT-PKNBQFBNSA-N

Molecule Structure SMILES String: COc4ccc(/C=C/C(=O)c1ccccc1NC(=O)CSc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008703
FYIcenter.com

 38 41  0  0  0  0  0  0  0  0999 V2000
    2.4250   10.1246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4250   12.9246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688   10.3920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917   11.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
  4 11  2  0  0  0  0
  2 12  2  0  0  0  0
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  1 33  1  0  0  0  0
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 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008703-3D
FYIcenter.com

 63 66  0  0  0  0  0  0  0  0999 V2000
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    5.0737    5.1179    9.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4345    5.0300    8.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38 63  1  0  0  0  0
M  END
$$$$

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2024-04-29, 227👍, 0💬