General Information of the Compound
| Compound ID |
CP0376824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methoxy-5-[(2R)-2-[2-(2-phenylmethoxyphenoxy)ethylamino]propyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N2O5S
|
||||||||||||||||||
| Molecular Weight |
470.591
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N2O5S/c1-19(16-21-12-13-24(30-2)25(17-21)33(26,28)29)27-14-15-31-22-10-6-7-11-23(22)32-18-20-8-4-3-5-9-20/h3-13,17,19,27H,14-16,18H2,1-2H3,(H2,26,28,29)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGUOYAOEHJPFST-LJQANCHMSA-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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor