General Information of the Compound
| Compound ID |
CP0890908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(4-{[6-({(2R)-2-Hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)phenyl]-2,4-imidazolidinedione acetate salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H43N3O8
|
||||||||||||||||||
| Molecular Weight |
573.687
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)O.O=C1CNC(=O)N1c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H39N3O6.C2H4O2/c32-20-23-17-22(10-13-25(23)33)26(34)18-29-14-4-1-2-5-15-37-16-6-3-7-21-8-11-24(12-9-21)31-27(35)19-30-28(31)36;1-2(3)4/h8-13,17,26,29,32-34H,1-7,14-16,18-20H2,(H,30,36);1H3,(H,3,4)/t26-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXMXKEUHBMFLTJ-SNYZSRNZSA-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
Protein ID: PT01493, Beta-3 adrenergic receptor