General Information of the Compound
| Compound ID |
CP0436194
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3,4,5-trihydroxybenzylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H10F3NO4S2
|
||||||||||||||||||
| Molecular Weight |
413.398
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc(O)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H10F3NO4S2/c18-17(19,20)9-2-1-3-10(7-9)21-15(25)13(27-16(21)26)6-8-4-11(22)14(24)12(23)5-8/h1-7,22-24H/b13-6-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OOZDRQVHSLZQPK-MLPAPPSSSA-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