General Information of the Compound
| Compound ID |
CP0415443
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[3-(4-methoxybutyl)-2-oxoimidazolidin-1-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H37N5O5S
|
||||||||||||||||||
| Molecular Weight |
567.712
|
||||||||||||||||||
| Canonical SMILES |
COCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H37N5O5S/c1-39-20-3-2-17-33-18-19-34(29(33)36)26-10-12-27(13-11-26)40(37,38)32-25-8-6-23(7-9-25)14-16-31-22-28(35)24-5-4-15-30-21-24/h4-13,15,21,28,31-32,35H,2-3,14,16-20,22H2,1H3/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQZKUHJUDVPPDA-NDEPHWFRSA-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