General Information of the Compound
| Compound ID |
CP0035108
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-((4-chloro-2-methylbenzamido)methyl)phenoxy)-2-methylphenoxy)-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26ClNO5
|
||||||||||||||||||
| Molecular Weight |
467.949
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Oc2cccc(CNC(=O)c3ccc(Cl)cc3C)c2)ccc1OC(C)(C)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26ClNO5/c1-16-12-19(27)8-10-22(16)24(29)28-15-18-6-5-7-20(14-18)32-21-9-11-23(17(2)13-21)33-26(3,4)25(30)31/h5-14H,15H2,1-4H3,(H,28,29)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QNZSBQPWPIGOBL-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma