General Information of the Compound
| Compound ID |
CP0435981
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| Compound Name |
6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-chlorophenyl)-N-(propylsulfamoyl)pyrimidin-4-amine
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| Structure |
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| Formula |
C19H20BrClN6O4S
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| Molecular Weight |
543.831
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| Canonical SMILES |
CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H20BrClN6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-15(21)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-14(20)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)
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| InChIKey |
OXHAHXSAOMBNOX-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