General Information of the Compound
| Compound ID |
CP0412982
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-thiazol-5-yl)-butyric acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
382.913
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Cc1ncc(CCCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23ClN2O3S/c1-12(20-11-16(22)13-4-2-5-14(19)9-13)8-17-21-10-15(25-17)6-3-7-18(23)24/h2,4-5,9-10,12,16,20,22H,3,6-8,11H2,1H3,(H,23,24)/t12-,16?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LULIDPWYMOAXGN-ZGTOLYCTSA-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