General Information of the Compound
| Compound ID |
CP0453261
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Methylbenzyl 3''-Methoxybenzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16O3
|
||||||||||||||||||
| Molecular Weight |
256.301
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)C(=O)OCc1cccc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16O3/c1-12-5-3-6-13(9-12)11-19-16(17)14-7-4-8-15(10-14)18-2/h3-10H,11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXVZMARDNUYHJH-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