General Information of the Compound
| Compound ID |
CP0510149
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-((2S)-3-Hydroxy-2-{[(2R)-2-hydroxy-2-phenylethyl]amino}propyl)-3-isopropoxy-4-biphenylcarboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31NO5
|
||||||||||||||||||
| Molecular Weight |
449.547
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@H](CO)NC[C@H](O)c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31NO5/c1-18(2)33-26-15-22(12-13-24(26)27(31)32)20-10-8-19(9-11-20)14-23(17-29)28-16-25(30)21-6-4-3-5-7-21/h3-13,15,18,23,25,28-30H,14,16-17H2,1-2H3,(H,31,32)/t23-,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNZAIVDVMJBVIU-NOZRDPDXSA-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