General Information of the Compound
| Compound ID |
CP0371954
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-methoxyphenyl)-11-phenyl-4,9-dioxa-3,10-diazatetradeca-2,10-dien-14-oic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N2O5
|
||||||||||||||||||
| Molecular Weight |
412.486
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(\C)=N\OCCCCO\N=C(\CCC(O)=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N2O5/c1-18(19-10-12-21(28-2)13-11-19)24-29-16-6-7-17-30-25-22(14-15-23(26)27)20-8-4-3-5-9-20/h3-5,8-13H,6-7,14-17H2,1-2H3,(H,26,27)/b24-18+,25-22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CUXMKERULDFQJG-PFSMGOMWSA-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