General Information of the Compound
| Compound ID |
CP0667047
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-4-Thioxo-5-(2,3,4-trihydroxybenzylidene)thiazolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H7NO4S2
|
||||||||||||||||||
| Molecular Weight |
269.303
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC(=S)/C(=C/c2ccc(O)c(O)c2O)S1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H7NO4S2/c12-5-2-1-4(7(13)8(5)14)3-6-9(16)11-10(15)17-6/h1-3,12-14H,(H,11,15,16)/b6-3-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AEYVPPVMCLJOGX-UTCJRWHESA-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