General Information of the Compound
| Compound ID |
CP0461485
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| Compound Name |
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
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| Structure |
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| Formula |
C10H8BrN3O5S
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| Molecular Weight |
362.161
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| Canonical SMILES |
Cc1[n-][o+]c(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1Br
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| InChI |
InChI=1S/C10H8BrN3O5S/c1-6-9(11)10(19-12-6)13-20(17,18)8-4-2-7(3-5-8)14(15)16/h2-5,13H,1H3
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| InChIKey |
WBNIPOYXTLRYMD-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