General Information of the Compound
| Compound ID |
CP0213824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy)propoxy)phenyl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27NO5
|
||||||||||||||||||
| Molecular Weight |
445.515
|
||||||||||||||||||
| Canonical SMILES |
CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27NO5/c1-2-7-22-24(15-14-23-26(28-33-27(22)23)20-8-4-3-5-9-20)32-17-6-16-31-21-12-10-19(11-13-21)18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WHSSPKJMHSINQB-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