General Information of the Compound
| Compound ID |
CP0453936
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20BrN7O6S
|
||||||||||||||||||
| Molecular Weight |
590.416
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1Oc1c(NS(C)(=O)=O)nc(nc1OCCOc1ncc(Br)cn1)-c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20BrN7O6S/c1-33-15-6-3-4-7-16(15)36-17-18(30-37(2,31)32)28-20(19-24-8-5-9-25-19)29-21(17)34-10-11-35-22-26-12-14(23)13-27-22/h3-9,12-13H,10-11H2,1-2H3,(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OOHIDBZEWZXHNX-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