General Information of the Compound
| Compound ID |
CP0428930
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(1H-benzo[d]imidazol-2-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N5O2
|
||||||||||||||||||
| Molecular Weight |
429.524
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N5O2/c31-23(19-4-3-14-26-16-19)17-27-15-13-18-7-9-20(10-8-18)28-25(32)12-11-24-29-21-5-1-2-6-22(21)30-24/h1-10,14,16,23,27,31H,11-13,15,17H2,(H,28,32)(H,29,30)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZDKHJUNKHEOJC-QHCPKHFHSA-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