Molecule FYI-1003659

A

Molecule Summary:

ID: FYI-1003659
Names:
InChIKey: RUUDCOKQOWUEFZ-UHFFFAOYSA-N
SMILES: CN5CC(n1nccc1c2cc(Cl)ccc2Oc4cc(F)c(S(=O)(=O)Nc3cncs3)cc4F)C5

Received at FYIcenter.com on: 2023-07-15

Molecule ID: FYI-1003659 Edit

Molecule Structure InChIKey: RUUDCOKQOWUEFZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CN5CC(n1nccc1c2cc(Cl)ccc2Oc4cc(F)c(S(=O)(=O)Nc3cncs3)cc4F)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003659
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
   10.5285    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5285    6.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7408    5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7408    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9533    6.3543    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1657    7.0543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 33 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003659-3D
FYIcenter.com

 53 57  0  0  0  0  0  0  0  0999 V2000
    9.9673    2.7326   -2.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4538    2.1854   -0.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6850    0.7312   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4435   -0.0024   -0.3768 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8225   -0.2977   -1.5444 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6976   -0.9023   -1.1904 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0842    0.3683    4.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7557    2.1172    3.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7529    1.3642    4.1103 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8311    3.5058    3.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-07-29, 1351👍, 0💬