General Information of the Compound
| Compound ID |
CP0408405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[2-(2-methoxy-5-phenylphenoxy)ethyl]azanium;chloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25NO4
|
||||||||||||||||||
| Molecular Weight |
391.467
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OCCNC[C@@H]1COc2ccccc2O1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25NO4.ClH/c1-26-21-12-11-19(18-7-3-2-4-8-18)15-24(21)27-14-13-25-16-20-17-28-22-9-5-6-10-23(22)29-20;/h2-12,15,20,25H,13-14,16-17H2,1H3;1H/t20-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHHAAVCPJVMVLF-VEIFNGETSA-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