General Information of the Compound
| Compound ID |
CP0247742
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(4-fluorophenyl)sulfanylmethyl]-5-hydroxypyran-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H9FO3S
|
||||||||||||||||||
| Molecular Weight |
252.266
|
||||||||||||||||||
| Canonical SMILES |
Oc1coc(CSc2ccc(F)cc2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H9FO3S/c13-8-1-3-10(4-2-8)17-7-9-5-11(14)12(15)6-16-9/h1-6,15H,7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
AJMZFXUDUORRMI-UHFFFAOYSA-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