General Information of the Compound
| Compound ID |
CP0579567
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy]methyl]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24O6
|
||||||||||||||||||
| Molecular Weight |
420.461
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(\C=C\c2cc(OC)cc(OCc3ccc(OCC(O)=O)cc3)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24O6/c1-28-21-9-5-18(6-10-21)3-4-20-13-23(29-2)15-24(14-20)30-16-19-7-11-22(12-8-19)31-17-25(26)27/h3-15H,16-17H2,1-2H3,(H,26,27)/b4-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NUVYCAHOYFZZTL-ONEGZZNKSA-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 | |||||||||||||||||||
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