General Information of the Compound
| Compound ID |
CP0539325
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-hydroxy-5-[1-hydroxy-2-(3-phenylpropylamino)ethyl]-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N2O3
|
||||||||||||||||||
| Molecular Weight |
338.407
|
||||||||||||||||||
| Canonical SMILES |
OC(CNCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N2O3/c23-17-10-8-15(16-9-11-19(25)22-20(16)17)18(24)13-21-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,18,21,23-24H,4,7,12-13H2,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTODCRACBJDRGN-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor