General Information of the Compound
| Compound ID |
CP0503424
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(benzenesulfonyl)-2-(1,3-benzodioxol-5-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H42N4O6S
|
||||||||||||||||||
| Molecular Weight |
682.843
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(=O)(=O)c1ccccc1)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H42N4O6S/c1-6-12-27-19-26(22-42-33(8-3)40-34-24(4)18-25(5)39-37(34)42)20-28(13-7-2)35(27)48-36(29-16-17-31-32(21-29)47-23-46-31)38(43)41-49(44,45)30-14-10-9-11-15-30/h9-11,14-21,36H,6-8,12-13,22-23H2,1-5H3,(H,41,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPQXUAPGMAIEDK-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