General Information of the Compound
| Compound ID |
CP0431850
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]-3-ethoxypropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17Cl2FO4
|
||||||||||||||||||
| Molecular Weight |
387.234
|
||||||||||||||||||
| Canonical SMILES |
CCOC(CC(O)=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17Cl2FO4/c1-2-24-17(9-18(22)23)12-4-6-16(15(21)8-12)25-10-11-3-5-13(19)14(20)7-11/h3-8,17H,2,9-10H2,1H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDQCXCZKRSHJRG-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