General Information of the Compound
| Compound ID |
CP0424322
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-phenylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N2O4
|
||||||||||||||||||
| Molecular Weight |
356.422
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N2O4/c1-20(2,10-13-6-4-3-5-7-13)21-11-16(24)14-8-9-15(23)18-19(14)26-12-17(25)22-18/h3-9,16,21,23-24H,10-12H2,1-2H3,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BQXRBRILGVDRAQ-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