General Information of the Compound
| Compound ID |
CP0448148
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(2-cyclopentylethynyl)phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H18O2
|
||||||||||||||||||
| Molecular Weight |
242.318
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCc1ccc(cc1)C#CC1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18O2/c17-16(18)12-11-15-9-7-14(8-10-15)6-5-13-3-1-2-4-13/h7-10,13H,1-4,11-12H2,(H,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAGZZCKKEKNMKE-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: PT04427, Free fatty acid receptor 4