General Information of the Compound
| Compound ID |
CP0558885
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[1-(6-ethylpyridin-3-yl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19F5N2O3
|
||||||||||||||||||
| Molecular Weight |
454.395
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cn1)-n1ccc(c1COc1c(F)cc(CCC(O)=O)cc1F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19F5N2O3/c1-2-14-4-5-15(11-28-14)29-8-7-16(22(25,26)27)19(29)12-32-21-17(23)9-13(10-18(21)24)3-6-20(30)31/h4-5,7-11H,2-3,6,12H2,1H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBXLSQCHXHHENB-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