General Information of the Compound
| Compound ID |
CP0430810
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| Compound Name |
4'-Oxazol-2-yl-2'-phenoxymethyl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C27H23N3O5S
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| Molecular Weight |
501.564
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| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2COc2ccccc2)-c2ncco2)c1C
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| InChI |
InChI=1S/C27H23N3O5S/c1-18-19(2)29-35-26(18)30-36(31,32)25-11-7-6-10-24(25)23-13-12-20(27-28-14-15-33-27)16-21(23)17-34-22-8-4-3-5-9-22/h3-16,30H,17H2,1-2H3
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| InChIKey |
UEBNKNPUEAOWHJ-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