General Information of the Compound
| Compound ID |
CP0061262
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl (E)-3-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenyl]prop-2-enoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34O3
|
||||||||||||||||||
| Molecular Weight |
394.555
|
||||||||||||||||||
| Canonical SMILES |
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(\C=C\C(=O)OCC)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34O3/c1-6-15-26(16-7-2,23-12-13-24(27)20(5)18-23)22-11-9-21(19(4)17-22)10-14-25(28)29-8-3/h9-14,17-18,27H,6-8,15-16H2,1-5H3/b14-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VUJWMKCEZSXOSS-GXDHUFHOSA-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