General Information of the Compound
| Compound ID |
CP0499894
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| Compound Name |
6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(butylsulfamoyl)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine
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| Structure |
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| Formula |
C25H27BrN8O6S
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| Molecular Weight |
647.512
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| Canonical SMILES |
CCCCNS(=O)(=O)Nc1nc(nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC)-c1ncccn1
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| InChI |
InChI=1S/C25H27BrN8O6S/c1-3-4-12-31-41(35,36)34-21-20(40-19-9-6-5-8-18(19)37-2)24(33-23(32-21)22-27-10-7-11-28-22)38-13-14-39-25-29-15-17(26)16-30-25/h5-11,15-16,31H,3-4,12-14H2,1-2H3,(H,32,33,34)
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| InChIKey |
ARFNEXZBRRNUKE-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