General Information of the Compound
| Compound ID |
CP0400966
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Ethyl-N-(4-{2-[(S)-2-hydroxy-3-(pyridin-3-yloxy)-propylamino]-ethyl}-phenyl)-benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29N3O4S
|
||||||||||||||||||
| Molecular Weight |
455.58
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29N3O4S/c1-2-19-7-11-24(12-8-19)32(29,30)27-21-9-5-20(6-10-21)13-15-26-16-22(28)18-31-23-4-3-14-25-17-23/h3-12,14,17,22,26-28H,2,13,15-16,18H2,1H3/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBMZAQJWOSAVBZ-QFIPXVFZSA-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