General Information of the Compound
| Compound ID |
CP0460921
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[[4-(naphthalen-2-ylmethyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H34N4O3S2
|
||||||||||||||||||
| Molecular Weight |
634.827
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(Cc4ccc5ccccc5c4)cs3)cc2)cc1)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H34N4O3S2/c41-35(31-6-3-18-37-23-31)24-38-19-17-26-8-13-32(14-9-26)40-45(42,43)34-15-10-27(11-16-34)22-36-39-33(25-44-36)21-28-7-12-29-4-1-2-5-30(29)20-28/h1-16,18,20,23,25,35,38,40-41H,17,19,21-22,24H2/t35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WXNBPORPPAPHMU-DHUJRADRSA-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