General Information of the Compound
| Compound ID |
CP0442920
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| Compound Name |
4'-(1-Oxy-pyridin-2-yl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C22H19N3O4S
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| Molecular Weight |
421.478
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| Canonical SMILES |
Cc1[n-][o+]c(NS(=O)(=O)c2ccccc2-c2ccc(cc2)-c2cccc[n+]2[O-])c1C
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| InChI |
InChI=1S/C22H19N3O4S/c1-15-16(2)23-29-22(15)24-30(27,28)21-9-4-3-7-19(21)17-10-12-18(13-11-17)20-8-5-6-14-25(20)26/h3-14,24H,1-2H3
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| InChIKey |
AITOTEQUPDSIJB-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