General Information of the Compound
| Compound ID |
CP0446268
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3,5-difluoro-4-[[1-(3-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H17F6NO3
|
||||||||||||||||||
| Molecular Weight |
457.37
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1F)-n1ccc(c1COc1c(F)cc(CCC(O)=O)cc1F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17F6NO3/c1-12-2-4-14(10-16(12)23)29-7-6-15(22(26,27)28)19(29)11-32-21-17(24)8-13(9-18(21)25)3-5-20(30)31/h2,4,6-10H,3,5,11H2,1H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MIZCYKZURSGLQL-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