General Information of the Compound
| Compound ID |
CP0869287
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-((2-(4-methoxyphenyl)-5-methyl-2H-1,2,3-triazol-4-yl)methylthio)-2-methylphenoxy)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21N3O4S
|
||||||||||||||||||
| Molecular Weight |
399.472
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-n2nc(C)c(CSc3ccc(OCC(=O)O)c(C)c3)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21N3O4S/c1-13-10-17(8-9-19(13)27-11-20(24)25)28-12-18-14(2)21-23(22-18)15-4-6-16(26-3)7-5-15/h4-10H,11-12H2,1-3H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZNMZQBWCXVDAKA-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: PT01919, Peroxisome proliferator-activated receptor alpha
Protein ID: PT03063, Peroxisome proliferator-activated receptor delta
Protein ID: PT02973, Peroxisome proliferator-activated receptor gamma