General Information of the Compound
| Compound ID |
CP0559126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]ethyl]phenyl]-2-phenylacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N3O3
|
||||||||||||||||||
| Molecular Weight |
443.547
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2ccccc2)cc1)COc1cccc2[nH]ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N3O3/c31-23(19-33-26-8-4-7-25-24(26)14-16-29-25)18-28-15-13-20-9-11-22(12-10-20)30-27(32)17-21-5-2-1-3-6-21/h1-12,14,16,23,28-29,31H,13,15,17-19H2,(H,30,32)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUEMWJKLDOXNHI-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