General Information of the Compound
| Compound ID |
CP0411704
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6,7-dimethoxy-2-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]-3,4-dihydro-1H-isoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29NO4
|
||||||||||||||||||
| Molecular Weight |
419.521
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1ccc(OCCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29NO4/c1-28-23-8-4-19(5-9-23)20-6-10-24(11-7-20)31-15-14-27-13-12-21-16-25(29-2)26(30-3)17-22(21)18-27/h4-11,16-17H,12-15,18H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HARWXJGHRDGQCU-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