General Information of the Compound
| Compound ID |
CP0522043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(2,6-dimethylbenzyloxy)-2-naphthoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18O3
|
||||||||||||||||||
| Molecular Weight |
306.361
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1COc1ccc2ccc(cc2c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18O3/c1-13-4-3-5-14(2)19(13)12-23-18-9-8-15-6-7-16(20(21)22)10-17(15)11-18/h3-11H,12H2,1-2H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNXWMSFVGNEINS-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