General Information of the Compound
| Compound ID |
CP0371950
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-methoxy-4-methylphenyl)-11-phenyl-4,9-dioxa-3,10-diazatetradeca-2,10-dien-14-oic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30N2O5
|
||||||||||||||||||
| Molecular Weight |
426.513
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1C)C(\C)=N\OCCCCO\N=C(\CCC(O)=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N2O5/c1-18-11-12-21(17-23(18)29-3)19(2)25-30-15-7-8-16-31-26-22(13-14-24(27)28)20-9-5-4-6-10-20/h4-6,9-12,17H,7-8,13-16H2,1-3H3,(H,27,28)/b25-19+,26-22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZVUSQZMCWMVEM-LRHXISMSSA-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: PT00915, Peroxisome proliferator-activated receptor gamma