General Information of the Compound
| Compound ID |
CP0376893
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| Compound Name |
5-Isopropyl-pyridine-2-sulfonic acid {5-(2-methoxy-phenoxy)-2-morpholin-4-yl-6-[2-(propane-1-sulfonylamino)-ethoxy]-pyrimidin-4-yl}-amide
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| Structure |
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| Formula |
C28H38N6O8S2
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| Molecular Weight |
650.78
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1nc(nc(NS(=O)(=O)c2ccc(cn2)C(C)C)c1Oc1ccccc1OC)N1CCOCC1
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| InChI |
InChI=1S/C28H38N6O8S2/c1-5-18-43(35,36)30-12-15-41-27-25(42-23-9-7-6-8-22(23)39-4)26(31-28(32-27)34-13-16-40-17-14-34)33-44(37,38)24-11-10-21(19-29-24)20(2)3/h6-11,19-20,30H,5,12-18H2,1-4H3,(H,31,32,33)
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| InChIKey |
RQNOIZBVICJIJP-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