General Information of the Compound
| Compound ID |
CP0201943
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenoxy]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23NO6
|
||||||||||||||||||
| Molecular Weight |
445.471
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2ccc(OCC(=O)NCc3ccc4OCOc4c3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23NO6/c1-30-21-8-2-18(3-9-21)4-12-23(28)20-6-10-22(11-7-20)31-16-26(29)27-15-19-5-13-24-25(14-19)33-17-32-24/h2-14H,15-17H2,1H3,(H,27,29)/b12-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDGQKJNPSWVLTQ-UUILKARUSA-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