General Information of the Compound
| Compound ID |
CP0502606
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[4-methoxy-3-[[(4-phenylmethoxybenzoyl)amino]methyl]phenyl]methyl]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29NO5
|
||||||||||||||||||
| Molecular Weight |
447.531
|
||||||||||||||||||
| Canonical SMILES |
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(OCc3ccccc3)cc2)c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29NO5/c1-3-21(27(30)31)15-20-9-14-25(32-2)23(16-20)17-28-26(29)22-10-12-24(13-11-22)33-18-19-7-5-4-6-8-19/h4-14,16,21H,3,15,17-18H2,1-2H3,(H,28,29)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXNHXQDADKHRRU-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