General Information of the Compound
| Compound ID |
CP0447266
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[4-(2-cyclopentylacetyl)-3-hydroxy-2-methylphenoxy]butoxy]-4-methoxybenzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32O7
|
||||||||||||||||||
| Molecular Weight |
456.535
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32O7/c1-17-22(12-10-20(25(17)28)21(27)15-18-7-3-4-8-18)32-13-5-6-14-33-24-16-19(26(29)30)9-11-23(24)31-2/h9-12,16,18,28H,3-8,13-15H2,1-2H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTZLGAJHKLYQLG-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