General Information of the Compound
| Compound ID |
CP0486689
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| Compound Name |
6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-N-(propylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine
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| Structure |
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| Formula |
C24H25BrN8O6S
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| Molecular Weight |
633.485
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| Canonical SMILES |
CCCNS(=O)(=O)Nc1nc(nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC)-c1ncccn1
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| InChI |
InChI=1S/C24H25BrN8O6S/c1-3-9-30-40(34,35)33-20-19(39-18-8-5-4-7-17(18)36-2)23(32-22(31-20)21-26-10-6-11-27-21)37-12-13-38-24-28-14-16(25)15-29-24/h4-8,10-11,14-15,30H,3,9,12-13H2,1-2H3,(H,31,32,33)
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| InChIKey |
VUAQGALNRBYHNG-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