General Information of the Compound
| Compound ID |
CP0562916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5Z)-5-[[2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C17H13F3N2O2S
|
||||||||||||||||||
| Molecular Weight |
366.364
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13F3N2O2S/c1-9-7-11(8-14-15(23)21-16(24)25-14)10(2)22(9)13-5-3-12(4-6-13)17(18,19)20/h3-8H,1-2H3,(H,21,23,24)/b14-8-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ORQKDFNKRPPNAB-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 | |||||||||||||||||||
| 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