General Information of the Compound
| Compound ID |
CP0372205
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-Propyl-4'-{2-[(2-hydroxy-3-phenoxypropyl)-amino]ethyl}-2-(1-benzylimidazol-2-yl)acetanilide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H38N4O3
|
||||||||||||||||||
| Molecular Weight |
526.681
|
||||||||||||||||||
| Canonical SMILES |
CCCN(C(=O)Cc1nccn1Cc1ccccc1)c1ccc(CCNC[C@H](O)COc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H38N4O3/c1-2-20-36(32(38)22-31-34-19-21-35(31)24-27-9-5-3-6-10-27)28-15-13-26(14-16-28)17-18-33-23-29(37)25-39-30-11-7-4-8-12-30/h3-16,19,21,29,33,37H,2,17-18,20,22-25H2,1H3/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZVKJNELSVJBCTP-LJAQVGFWSA-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