General Information of the Compound
| Compound ID |
CP0868554
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-(3-(3-fluorophenyl)propylamino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C20H22ClFN2O3
|
||||||||||||||||||
| Molecular Weight |
392.858
|
||||||||||||||||||
| Canonical SMILES |
Cl.O=c1ccc2c(C(O)CNCCCc3cccc(F)c3)ccc(O)c2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21FN2O3.ClH/c21-14-5-1-3-13(11-14)4-2-10-22-12-18(25)15-6-8-17(24)20-16(15)7-9-19(26)23-20;/h1,3,5-9,11,18,22,24-25H,2,4,10,12H2,(H,23,26);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAIXNPZGGZDVLA-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 | |||||||||||||||||||
| 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