General Information of the Compound
| Compound ID |
CP0953799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-(4-(5-(3,4-dihydroxyphenyl)-3-oxopent-4-en-1-yl)phenyl)-4-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23NO4
|
||||||||||||||||||
| Molecular Weight |
401.462
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C(=O)Nc2ccc(CCC(=O)/C=C/c3ccc(O)c(O)c3)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23NO4/c1-17-2-9-20(10-3-17)25(30)26-21-11-4-18(5-12-21)6-13-22(27)14-7-19-8-15-23(28)24(29)16-19/h2-5,7-12,14-16,28-29H,6,13H2,1H3,(H,26,30)/b14-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAAQXSAUDWDICX-VGOFMYFVSA-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