General Information of the Compound
| Compound ID |
CP0405478
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(2-(1-(4-ethylphenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-5-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N2O4
|
||||||||||||||||||
| Molecular Weight |
384.476
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(CC(C)(C)NCC(O)c2ccc(O)c3NC(=O)COc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N2O4/c1-4-14-5-7-15(8-6-14)11-22(2,3)23-12-18(26)16-9-10-17(25)20-21(16)28-13-19(27)24-20/h5-10,18,23,25-26H,4,11-13H2,1-3H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGZMWTZAPLFLCO-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