General Information of the Compound
| Compound ID |
CP0953510
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| Compound Name |
4-(5-chloro-2-(4-(2-methyl-1,3-dioxolan-2-yl)phenylsulfonamido)benzoyl)pyridine 1-oxide
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| Structure |
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| Formula |
C22H19ClN2O6S
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| Molecular Weight |
474.922
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| Canonical SMILES |
CC1(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3cc[n+]([O-])cc3)cc2)OCCO1
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| InChI |
InChI=1S/C22H19ClN2O6S/c1-22(30-12-13-31-22)16-2-5-18(6-3-16)32(28,29)24-20-7-4-17(23)14-19(20)21(26)15-8-10-25(27)11-9-15/h2-11,14,24H,12-13H2,1H3
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| InChIKey |
YCCXGFTWJNJVHZ-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