General Information of the Compound
| Compound ID |
CP0545091
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[3-(2-methylbutoxy)phenoxy]methyl]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23NO2
|
||||||||||||||||||
| Molecular Weight |
321.42
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)COc1cccc(OCc2ccc3ccccc3n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23NO2/c1-3-16(2)14-23-19-8-6-9-20(13-19)24-15-18-12-11-17-7-4-5-10-21(17)22-18/h4-13,16H,3,14-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LBVBVGWILMIBBX-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 | |||||||||||||||||||
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