General Information of the Compound
| Compound ID |
CP0402051
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23F3N2O4
|
||||||||||||||||||
| Molecular Weight |
424.419
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Cc1ccccc1C(F)(F)F)NCC(O)c1cc(O)cc2NC(=O)COc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F3N2O4/c1-20(2,9-12-5-3-4-6-15(12)21(22,23)24)25-10-17(28)14-7-13(27)8-16-19(14)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BQUFGSLHZGADCH-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