General Information of the Compound
| Compound ID |
CP0372616
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-5-fluoro-4-hydroxy-1-(3-oxo-3,6-dihydro-2H-pyran-2-yl)pyrimidin-2(1H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H7FN2O4
|
||||||||||||||||||
| Molecular Weight |
226.163
|
||||||||||||||||||
| Canonical SMILES |
Fc1cn([C@H]2OCC=CC2=O)c(=O)[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H7FN2O4/c10-5-4-12(9(15)11-7(5)14)8-6(13)2-1-3-16-8/h1-2,4,8H,3H2,(H,11,14,15)/t8-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SEVHTONQYXGODI-QMMMGPOBSA-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
Protein ID: PT01883, Thymidylate synthase
Cell Viability or Cytotoxicity Assay