General Information of the Compound
| Compound ID |
CP0384611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propoxy]benzene-1,2-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23NO6
|
||||||||||||||||||
| Molecular Weight |
349.383
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1OCCNC[C@@H](O)COc1ccc(O)c(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23NO6/c1-23-17-4-2-3-5-18(17)24-9-8-19-11-13(20)12-25-14-6-7-15(21)16(22)10-14/h2-7,10,13,19-22H,8-9,11-12H2,1H3/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZWFJOLNDDLZBU-CYBMUJFWSA-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: PT06365, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor