General Information of the Compound
| Compound ID |
CP0423437
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-methoxy-5-phenyl-3H-1,4-benzodioxin-2-yl)-4,5-dihydro-1H-imidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18N2O3
|
||||||||||||||||||
| Molecular Weight |
310.353
|
||||||||||||||||||
| Canonical SMILES |
COC1(COc2c(O1)cccc2-c1ccccc1)C1=NCCN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18N2O3/c1-21-18(17-19-10-11-20-17)12-22-16-14(8-5-9-15(16)23-18)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NXCHMDJNSMDGIA-UHFFFAOYSA-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor