General Information of the Compound
| Compound ID |
CP0468963
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-hydroxy-8-[(1R)-1-hydroxy-2-[[4-(4-hydroxyphenyl)-2-methylbutan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27ClN2O5
|
||||||||||||||||||
| Molecular Weight |
422.909
|
||||||||||||||||||
| Canonical SMILES |
Cl.CC(C)(CCc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc2NC(=O)COc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N2O5.ClH/c1-21(2,8-7-13-3-5-14(24)6-4-13)22-11-18(26)16-9-15(25)10-17-20(16)28-12-19(27)23-17;/h3-6,9-10,18,22,24-26H,7-8,11-12H2,1-2H3,(H,23,27);1H/t18-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QIGFOCWFSISOEJ-FERBBOLQSA-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