General Information of the Compound
| Compound ID |
CP0437497
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-hydroxy-5-((4-oxo-2-thioxo-3-(2-(trifluoromethyl)phenyl)thiazolidin-5-ylidene)methyl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H10F3NO4S2
|
||||||||||||||||||
| Molecular Weight |
425.409
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1cc(\C=C2/SC(=S)N(C2=O)c2ccccc2C(F)(F)F)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H10F3NO4S2/c19-18(20,21)11-3-1-2-4-12(11)22-15(24)14(28-17(22)27)8-9-5-6-13(23)10(7-9)16(25)26/h1-8,23H,(H,25,26)/b14-8-
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQTXDKWFCXXIIL-ZSOIEALJSA-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