General Information of the Compound
| Compound ID |
CP0452573
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21FO4
|
||||||||||||||||||
| Molecular Weight |
380.415
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2ccc(CCC(O)=O)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21FO4/c1-27-20-11-12-22(24)21(14-20)18-7-2-17(3-8-18)15-28-19-9-4-16(5-10-19)6-13-23(25)26/h2-5,7-12,14H,6,13,15H2,1H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZWECPBBNZTWDFT-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