General Information of the Compound
| Compound ID |
CP0130372
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-1-(2-methylpiperidin-1-yl)prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31NO4
|
||||||||||||||||||
| Molecular Weight |
421.537
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(\C=C\c2cc(OC)cc(OC)c2\C=C\C(=O)N2CCCCC2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31NO4/c1-19-7-5-6-16-27(19)26(28)15-14-24-21(17-23(30-3)18-25(24)31-4)11-8-20-9-12-22(29-2)13-10-20/h8-15,17-19H,5-7,16H2,1-4H3/b11-8+,15-14+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWSRLVOJNNQFCC-IIXCLMFLSA-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: PT01062, Prostaglandin G/H synthase 2
Cell Viability or Cytotoxicity Assay