General Information of the Compound
| Compound ID |
CP0434418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-fluoro-4-[(5-methyl-2-phenyl-1,3-thiazol-4-yl)methylamino]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17FN2O3S
|
||||||||||||||||||
| Molecular Weight |
372.421
|
||||||||||||||||||
| Canonical SMILES |
Cc1sc(nc1CNc1ccc(OCC(O)=O)c(F)c1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17FN2O3S/c1-12-16(22-19(26-12)13-5-3-2-4-6-13)10-21-14-7-8-17(15(20)9-14)25-11-18(23)24/h2-9,21H,10-11H2,1H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQDINMREBATABW-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
Protein ID: PT02793, Free fatty acid receptor 1
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta