General Information of the Compound
| Compound ID |
CP0225562
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{4-[3-(2-phenyl-7-propyl-1H-indol-6-yloxy)propoxy]-indol-1-yl}ethanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H30N2O4
|
||||||||||||||||||
| Molecular Weight |
482.58
|
||||||||||||||||||
| Canonical SMILES |
CCCc1c(OCCCOc2cccc3n(CC(O)=O)ccc23)ccc2cc([nH]c12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H30N2O4/c1-2-8-24-28(14-13-22-19-25(31-30(22)24)21-9-4-3-5-10-21)36-18-7-17-35-27-12-6-11-26-23(27)15-16-32(26)20-29(33)34/h3-6,9-16,19,31H,2,7-8,17-18,20H2,1H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YRFJWRCVNFMVHJ-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