General Information of the Compound
| Compound ID |
CP0229485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-1-(pyridin-3-yl)-2-(2-(4-(thiazol-4-yl)phenoxy)ethylamino)ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19N3O2S
|
||||||||||||||||||
| Molecular Weight |
341.436
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCCOc1ccc(cc1)-c1cscn1)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19N3O2S/c22-18(15-2-1-7-19-10-15)11-20-8-9-23-16-5-3-14(4-6-16)17-12-24-13-21-17/h1-7,10,12-13,18,20,22H,8-9,11H2/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYUCOCQMSLRKPR-SFHVURJKSA-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor