General Information of the Compound
| Compound ID |
CP0431469
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)-2-(2-thenyl)acetanilide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N2O4S
|
||||||||||||||||||
| Molecular Weight |
426.538
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2cccs2)cc1)COc1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N2O4S/c26-19-7-9-21(10-8-19)29-16-20(27)15-24-12-11-17-3-5-18(6-4-17)25-23(28)14-22-2-1-13-30-22/h1-10,13,20,24,26-27H,11-12,14-16H2,(H,25,28)/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUQJGEYBBHCTJB-FQEVSTJZSA-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