General Information of the Compound
| Compound ID |
CP0420622
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-cyclopropyl-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N4O3S2
|
||||||||||||||||||
| Molecular Weight |
414.512
|
||||||||||||||||||
| Canonical SMILES |
CC(NC(=O)c1nc(sc1C1CC1)-c1nccs1)c1ccc(cc1)C(=O)NO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N4O3S2/c1-10(11-2-6-13(7-3-11)16(24)23-26)21-17(25)14-15(12-4-5-12)28-19(22-14)18-20-8-9-27-18/h2-3,6-10,12,26H,4-5H2,1H3,(H,21,25)(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVBDKSWKGOTDLU-UHFFFAOYSA-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6