General Information of the Compound
| Compound ID |
CP0467115
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| Compound Name |
5-Isopropyl-pyridine-2-sulfonic acid [5-(2-methoxy-phenoxy)-6-[2-(propane-1-sulfonylamino)-ethoxy]-2-(3,4,5-trimethoxy-phenyl)-pyrimidin-4-yl]-amide
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| Structure |
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| Formula |
C33H41N5O10S2
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| Molecular Weight |
731.85
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1nc(nc(NS(=O)(=O)c2ccc(cn2)C(C)C)c1Oc1ccccc1OC)-c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C33H41N5O10S2/c1-8-17-49(39,40)35-15-16-47-33-30(48-25-12-10-9-11-24(25)43-4)32(38-50(41,42)28-14-13-22(20-34-28)21(2)3)36-31(37-33)23-18-26(44-5)29(46-7)27(19-23)45-6/h9-14,18-21,35H,8,15-17H2,1-7H3,(H,36,37,38)
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| InChIKey |
KWLKTEPEDKFNSG-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