General Information of the Compound
| Compound ID |
CP0404156
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-malonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22ClNO6
|
||||||||||||||||||
| Molecular Weight |
407.85
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Cc1ccc(OC(C(O)=O)C(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22ClNO6/c1-12(22-11-17(23)14-3-2-4-15(21)10-14)9-13-5-7-16(8-6-13)28-18(19(24)25)20(26)27/h2-8,10,12,17-18,22-23H,9,11H2,1H3,(H,24,25)(H,26,27)/t12-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSINULHJVFMBFZ-PXAZEXFGSA-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor