General Information of the Compound
| Compound ID |
CP0373483
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-propyl]-thiazol-5-yl}-butyric acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H26N2O4S
|
||||||||||||||||||
| Molecular Weight |
378.494
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Cc1ncc(CCCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H26N2O4S/c1-14(10-18-21-12-17(26-18)8-5-9-19(23)24)20-11-15(22)13-25-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,20,22H,5,8-11,13H2,1H3,(H,23,24)/t14-,15+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BVBIXDIVUVDTEU-CABCVRRESA-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