General Information of the Compound
| Compound ID |
CP0381001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1H-inden-2-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34O5
|
||||||||||||||||||
| Molecular Weight |
474.597
|
||||||||||||||||||
| Canonical SMILES |
CCOCCOc1cc(C)c(c(C)c1)-c1cccc(COc2ccc3CC(CC(O)=O)Cc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34O5/c1-4-33-10-11-34-28-12-20(2)30(21(3)13-28)25-7-5-6-22(14-25)19-35-27-9-8-24-15-23(17-29(31)32)16-26(24)18-27/h5-9,12-14,18,23H,4,10-11,15-17,19H2,1-3H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DPCOBZIKVOEADX-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: PT02793, Free fatty acid receptor 1
Protein ID: PT02522, Free fatty acid receptor 1