General Information of the Compound
| Compound ID |
CP0389855
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[[3-(2,6-dimethylphenyl)phenyl]methoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30O3
|
||||||||||||||||||
| Molecular Weight |
414.545
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(COc2ccc3C(CC(O)=O)CCCCc3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30O3/c1-19-7-5-8-20(2)28(19)24-12-6-9-21(15-24)18-31-25-13-14-26-22(16-25)10-3-4-11-23(26)17-27(29)30/h5-9,12-16,23H,3-4,10-11,17-18H2,1-2H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AJDAZNXXSMAOOJ-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