General Information of the Compound
| Compound ID |
CP0558886
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-2-(trifluoromethyl)phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H16F7NO3
|
||||||||||||||||||
| Molecular Weight |
475.36
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCc1ccc(OCc2c(ccn2-c2ccc(F)cc2)C(F)(F)F)cc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H16F7NO3/c23-14-3-5-15(6-4-14)30-10-9-17(21(24,25)26)19(30)12-33-16-7-1-13(2-8-20(31)32)18(11-16)22(27,28)29/h1,3-7,9-11H,2,8,12H2,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GFTPHPGCEBWWJF-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