General Information of the Compound
| Compound ID |
CP0430401
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| Compound Name |
4'-(4,6-Dimethoxy-pyrimidin-2-yl)-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
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| Structure |
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| Formula |
C23H22N4O5S
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| Molecular Weight |
466.519
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| Canonical SMILES |
COc1cc(OC)nc(n1)-c1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C23H22N4O5S/c1-14-15(2)26-32-23(14)27-33(28,29)19-8-6-5-7-18(19)16-9-11-17(12-10-16)22-24-20(30-3)13-21(25-22)31-4/h5-13,27H,1-4H3
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| InChIKey |
PBQXMKQAIAUNQN-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