General Information of the Compound
| Compound ID |
CP0435975
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-N-(methylsulfamoyl)-2-pyrimidin-2-ylpyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21BrN8O6S
|
||||||||||||||||||
| Molecular Weight |
605.431
|
||||||||||||||||||
| Canonical SMILES |
CNS(=O)(=O)Nc1nc(nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC)-c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21BrN8O6S/c1-24-38(32,33)31-18-17(37-16-7-4-3-6-15(16)34-2)21(30-20(29-18)19-25-8-5-9-26-19)35-10-11-36-22-27-12-14(23)13-28-22/h3-9,12-13,24H,10-11H2,1-2H3,(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MOXPGMJEOXCNPF-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor