General Information of the Compound
| Compound ID |
CP0460782
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| Compound Name |
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
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| Structure |
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| Formula |
C13H15BrN2O3S
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| Molecular Weight |
359.245
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| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1Br
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| InChI |
InChI=1S/C13H15BrN2O3S/c1-7-5-8(2)12(9(3)6-7)20(17,18)16-13-11(14)10(4)15-19-13/h5-6,16H,1-4H3
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| InChIKey |
ITWYSOIYYHELQO-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
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor