General Information of the Compound
| Compound ID |
CP0850720
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| Compound Name |
3-(5-chloro-2-(4-(2-(oxazol-2-yl)propan-2-yl)phenylsulfonamido)benzoyl)pyridine 1-oxide
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| Structure |
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| Formula |
C24H20ClN3O5S
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| Molecular Weight |
497.96
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| Canonical SMILES |
CC(C)(c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[n+]([O-])c2)cc1)c1ncco1
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| InChI |
InChI=1S/C24H20ClN3O5S/c1-24(2,23-26-11-13-33-23)17-5-8-19(9-6-17)34(31,32)27-21-10-7-18(25)14-20(21)22(29)16-4-3-12-28(30)15-16/h3-15,27H,1-2H3
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| InChIKey |
TVDIXCWCXMBKSU-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