General Information of the Compound
| Compound ID |
CP0389978
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-{[(2R)-2-(4-Aminophenyl)-2-hydroxyethyl]amino}ethyl)-3-isopropoxy-4-biphenylcarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N2O4
|
||||||||||||||||||
| Molecular Weight |
434.536
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N2O4/c1-17(2)32-25-15-21(9-12-23(25)26(30)31)19-5-3-18(4-6-19)13-14-28-16-24(29)20-7-10-22(27)11-8-20/h3-12,15,17,24,28-29H,13-14,16,27H2,1-2H3,(H,30,31)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AUGGMUVNPWIEHR-DEOSSOPVSA-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: PT01493, Beta-3 adrenergic receptor