General Information of the Compound
| Compound ID |
CP0403739
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H31N5O6S
|
||||||||||||||||||
| Molecular Weight |
601.685
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OCc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31N5O6S/c1-40-26-10-12-27(13-11-26)41-21-30-34-31(35-42-30)23-6-14-28(15-7-23)43(38,39)36-25-8-4-22(5-9-25)16-18-33-20-29(37)24-3-2-17-32-19-24/h2-15,17,19,29,33,36-37H,16,18,20-21H2,1H3/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ALVGVJBOROIAIW-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