General Information of the Compound
| Compound ID |
CP0480586
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| Compound Name |
4'-Oxazol-2-yl-2'-styryl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C28H23N3O4S
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| Molecular Weight |
497.576
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| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2\C=C/c2ccccc2)-c2ncco2)c1C
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| InChI |
InChI=1S/C28H23N3O4S/c1-19-20(2)30-35-27(19)31-36(32,33)26-11-7-6-10-25(26)24-15-14-23(28-29-16-17-34-28)18-22(24)13-12-21-8-4-3-5-9-21/h3-18,31H,1-2H3/b13-12-
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| InChIKey |
UNZAVPNCBSRDCV-SEYXRHQNSA-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