General Information of the Compound
| Compound ID |
CP0435982
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| Compound Name |
N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(3-methoxyphenoxy)pyrimidin-4-amine
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| Structure |
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| Formula |
C24H23BrN6O6S
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| Molecular Weight |
603.455
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| Canonical SMILES |
COc1cccc(Oc2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)c1
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| InChI |
InChI=1S/C24H23BrN6O6S/c1-34-19-8-5-9-20(12-19)37-21-22(31-38(32,33)30-13-17-6-3-2-4-7-17)28-16-29-23(21)35-10-11-36-24-26-14-18(25)15-27-24/h2-9,12,14-16,30H,10-11,13H2,1H3,(H,28,29,31)
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| InChIKey |
WBTXDANWVHPDGU-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