General Information of the Compound
| Compound ID |
CP0487005
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(4-butanoyl-3-hydroxy-2-methylphenoxy)butoxy]-4-methoxybenzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28O7
|
||||||||||||||||||
| Molecular Weight |
416.47
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=O)c1ccc(OCCCCOc2cc(ccc2OC)C(O)=O)c(C)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28O7/c1-4-7-18(24)17-9-11-19(15(2)22(17)25)29-12-5-6-13-30-21-14-16(23(26)27)8-10-20(21)28-3/h8-11,14,25H,4-7,12-13H2,1-3H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYOPXIQIQFTMBB-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
Protein ID: PT01491, Metabotropic glutamate receptor 2
Protein ID: PT03263, Metabotropic glutamate receptor 3