General Information of the Compound
| Compound ID |
CP0448537
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| Compound Name |
Biphenyl-3-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C17H16N2O3S
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| Molecular Weight |
328.393
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| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)c1C
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| InChI |
InChI=1S/C17H16N2O3S/c1-12-13(2)18-22-17(12)19-23(20,21)16-10-6-9-15(11-16)14-7-4-3-5-8-14/h3-11,19H,1-2H3
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| InChIKey |
PFKPCLJGCDINDK-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
Protein ID: PT01785, Endothelin-1 receptor