General Information of the Compound
| Compound ID |
CP0861403
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| Compound Name |
5-(2-(4-acetylphenylsulfonamido)-5-chlorobenzoyl)-2-methylpyridine 1-oxide
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| Structure |
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| Formula |
C21H17ClN2O5S
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| Molecular Weight |
444.896
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| Canonical SMILES |
CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc(C)[n+]([O-])c2)cc1
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| InChI |
InChI=1S/C21H17ClN2O5S/c1-13-3-4-16(12-24(13)27)21(26)19-11-17(22)7-10-20(19)23-30(28,29)18-8-5-15(6-9-18)14(2)25/h3-12,23H,1-2H3
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| InChIKey |
SFQJLENSSRDSSZ-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