General Information of the Compound
| Compound ID |
CP0966872
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-thioxo-5-(3,4,5-trimethoxybenzylidene)imidazolidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H14N2O4S
|
||||||||||||||||||
| Molecular Weight |
294.332
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(/C=C2/NC(=S)NC2=O)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H14N2O4S/c1-17-9-5-7(6-10(18-2)11(9)19-3)4-8-12(16)15-13(20)14-8/h4-6H,1-3H3,(H2,14,15,16,20)/b8-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQOWIEYZKNQKNQ-XBXARRHUSA-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