General Information of the Compound
| Compound ID |
CP0552828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-fluorophenyl)-3-(8-hydroxy-1,1-dioxo-2H-thiochromen-7-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13FN2O4S
|
||||||||||||||||||
| Molecular Weight |
348.355
|
||||||||||||||||||
| Canonical SMILES |
Oc1c(NC(=O)Nc2ccccc2F)ccc2C=CCS(=O)(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13FN2O4S/c17-11-5-1-2-6-12(11)18-16(21)19-13-8-7-10-4-3-9-24(22,23)15(10)14(13)20/h1-8,20H,9H2,(H2,18,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSNWVLXAJYLUQC-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 | |||||||||||||||||||
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