General Information of the Compound
| Compound ID |
CP0501402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(2-(1-(3,5-difluorophenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-5-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22F2N2O4
|
||||||||||||||||||
| Molecular Weight |
392.402
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22F2N2O4/c1-20(2,8-11-5-12(21)7-13(22)6-11)23-9-16(26)14-3-4-15(25)18-19(14)28-10-17(27)24-18/h3-7,16,23,25-26H,8-10H2,1-2H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPMLMUUTSBYUPA-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