General Information of the Compound
| Compound ID |
CP0859375
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{[(2-{[6-({(2R)-2-Hydroxy-2-[4-hydroxy-3-(hydroxymethyl)-phenyl]-ethyl}amino)hexyl]oxy}ethyl)oxy]methyl}benzenesulfonamideacetate salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H40N2O9S
|
||||||||||||||||||
| Molecular Weight |
556.678
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)O.NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H36N2O7S.C2H4O2/c25-34(30,31)22-7-5-6-19(14-22)18-33-13-12-32-11-4-2-1-3-10-26-16-24(29)20-8-9-23(28)21(15-20)17-27;1-2(3)4/h5-9,14-15,24,26-29H,1-4,10-13,16-18H2,(H2,25,30,31);1H3,(H,3,4)/t24-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BDDTUXBLJQXXHC-JIDHJSLPSA-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