General Information of the Compound
| Compound ID |
CP0368400
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(benzylsulfamoyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H25BrN8O6S
|
||||||||||||||||||
| Molecular Weight |
681.529
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(nc1OCCOc1ncc(Br)cn1)-c1ncccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H25BrN8O6S/c1-40-21-10-5-6-11-22(21)43-23-24(37-44(38,39)34-16-19-8-3-2-4-9-19)35-26(25-30-12-7-13-31-25)36-27(23)41-14-15-42-28-32-17-20(29)18-33-28/h2-13,17-18,34H,14-16H2,1H3,(H,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNRPBSOBVCAVNX-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