General Information of the Compound
| Compound ID |
CP0544776
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-chloro-3-[2-[1-(6-chloro-1,3-benzothiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22Cl2N2O3S
|
||||||||||||||||||
| Molecular Weight |
465.402
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1ccc(Cl)c(OCCC2CCN(CC2)c2nc3ccc(Cl)cc3s2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22Cl2N2O3S/c23-16-2-4-18-20(13-16)30-22(25-18)26-8-5-14(6-9-26)7-10-29-19-11-15(12-21(27)28)1-3-17(19)24/h1-4,11,13-14H,5-10,12H2,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FUEGDUVTXZWBMT-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 | |||||||||||||||||||
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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT03063, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma