General Information of the Compound
| Compound ID |
CP0858642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-1-Cyclohexyl-3-(4-{2-[(2-hydroxy-3-phenoxypropyl)-amino]ethyl}phenyl)thiourea hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H34ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
464.075
|
||||||||||||||||||
| Canonical SMILES |
Cl.O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N3O2S.ClH/c28-22(18-29-23-9-5-2-6-10-23)17-25-16-15-19-11-13-21(14-12-19)27-24(30)26-20-7-3-1-4-8-20;/h2,5-6,9-14,20,22,25,28H,1,3-4,7-8,15-18H2,(H2,26,27,30);1H/t22-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBKWDRFPPGDEGA-FTBISJDPSA-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