General Information of the Compound
| Compound ID |
CP0489395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-(2-aminophenyl)-3-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N3O3S
|
||||||||||||||||||
| Molecular Weight |
381.457
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)-c1ncc(\C=C\C(=O)Nc2ccccc2N)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N3O3S/c1-25-17-9-7-13(11-18(17)26-2)20-22-12-14(27-20)8-10-19(24)23-16-6-4-3-5-15(16)21/h3-12H,21H2,1-2H3,(H,23,24)/b10-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
LRIIAFNAXQSTDT-CSKARUKUSA-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
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8