General Information of the Compound
| Compound ID |
CP0170006
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,2-dimethoxy-3-((2-(3-methoxyphenethyl)phenoxy)methyl)benzene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26O4
|
||||||||||||||||||
| Molecular Weight |
378.468
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CCc2ccccc2OCc2cccc(OC)c2OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26O4/c1-25-21-11-6-8-18(16-21)14-15-19-9-4-5-12-22(19)28-17-20-10-7-13-23(26-2)24(20)27-3/h4-13,16H,14-15,17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBJIBBIMIYBVRK-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