General Information of the Compound
| Compound ID |
CP0448473
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| Compound Name |
6-benzylsulfonyl-N-(4-fluorophenyl)-1-oxidopyridin-1-ium-3-carboxamide
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| Structure |
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| Formula |
C19H15FN2O4S
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| Molecular Weight |
386.404
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| Canonical SMILES |
[O-][n+]1cc(ccc1S(=O)(=O)Cc1ccccc1)C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C19H15FN2O4S/c20-16-7-9-17(10-8-16)21-19(23)15-6-11-18(22(24)12-15)27(25,26)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,21,23)
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| InChIKey |
XUNMHDBDUOUNHX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound