General Information of the Compound
| Compound ID |
CP0861404
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| Compound Name |
4-(5-chloro-2-(4-(1-hydroxy-2-methylpropan-2-yl)phenylsulfonamido)benzoyl)pyridine 1-oxide
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| Structure |
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| Formula |
C22H21ClN2O5S
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| Molecular Weight |
460.939
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| Canonical SMILES |
CC(C)(CO)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1
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| InChI |
InChI=1S/C22H21ClN2O5S/c1-22(2,14-26)16-3-6-18(7-4-16)31(29,30)24-20-8-5-17(23)13-19(20)21(27)15-9-11-25(28)12-10-15/h3-13,24,26H,14H2,1-2H3
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| InChIKey |
KYHOLCAHTRKUEL-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