General Information of the Compound
| Compound ID |
CP0952192
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| Compound Name |
4-tert-Butyl-N-[4-chloro-2-(1-oxy-pyridine-3-carbonyl)-phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H21ClN2O4S
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| Molecular Weight |
444.94
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| Canonical SMILES |
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[n+]([O-])c2)cc1
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| InChI |
InChI=1S/C22H21ClN2O4S/c1-22(2,3)16-6-9-18(10-7-16)30(28,29)24-20-11-8-17(23)13-19(20)21(26)15-5-4-12-25(27)14-15/h4-14,24H,1-3H3
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| InChIKey |
JYNRCTGNUWIOCC-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