General Information of the Compound
| Compound ID |
CP0894465
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(5-((4-amino-2-(methylsulfinyl)pyrimidin-5-yl)methoxy)-2-bromo-3-fluoro-4-hydroxybenzylidene)-3-methylthiazolidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14BrFN4O5S2
|
||||||||||||||||||
| Molecular Weight |
517.358
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)S/C(=C\c2cc(OCc3cnc([S+](C)[O-])nc3N)c(O)c(F)c2Br)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14BrFN4O5S2/c1-23-15(25)10(29-17(23)26)4-7-3-9(13(24)12(19)11(7)18)28-6-8-5-21-16(30(2)27)22-14(8)20/h3-5,24H,6H2,1-2H3,(H2,20,21,22)/b10-4-
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWEHAYWDKMUVMN-WMZJFQQLSA-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