General Information of the Compound
| Compound ID |
CP0420861
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[1-(3,5-Di-tert-butyl-4-hydroxy-phenyl)-eth-(Z)-ylidene]-2-hydroxy-thiazol-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25NO3S
|
||||||||||||||||||
| Molecular Weight |
347.48
|
||||||||||||||||||
| Canonical SMILES |
C\C(=C1\SC(=O)NC1=O)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25NO3S/c1-10(15-16(22)20-17(23)24-15)11-8-12(18(2,3)4)14(21)13(9-11)19(5,6)7/h8-9,21H,1-7H3,(H,20,22,23)/b15-10-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZYSIBNRDWCXBF-GDNBJRDFSA-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