General Information of the Compound
| Compound ID |
CP0500476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2Z,5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17FN4OS
|
||||||||||||||||||
| Molecular Weight |
392.459
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(\C=C2/S\C(NC2=O)=N/c2ccccn2)c(C)n1-c1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17FN4OS/c1-13-11-15(14(2)26(13)17-8-4-3-7-16(17)22)12-18-20(27)25-21(28-18)24-19-9-5-6-10-23-19/h3-12H,1-2H3,(H,23,24,25,27)/b18-12-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSORBZLXXXEGIY-PDGQHHTCSA-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