General Information of the Compound
| Compound ID |
CP0859833
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| Compound Name |
2-(2-(4-tert-butylphenylsulfonamido)-5-chlorobenzoyl)pyridine 1-oxide
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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)c2cccc[n+]2[O-])cc1
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| InChI |
InChI=1S/C22H21ClN2O4S/c1-22(2,3)15-7-10-17(11-8-15)30(28,29)24-19-12-9-16(23)14-18(19)21(26)20-6-4-5-13-25(20)27/h4-14,24H,1-3H3
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| InChIKey |
NKFIIBNFBHUUBL-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