General Information of the Compound
| Compound ID |
CP0542279
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-hydroxy-2-[2-[4-(trifluoromethyl)phenyl]ethylsulfanyl]-1H-pyrimidin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H11F3N2O2S
|
||||||||||||||||||
| Molecular Weight |
316.304
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(=O)[nH]c(SCCc2ccc(cc2)C(F)(F)F)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H11F3N2O2S/c14-13(15,16)9-3-1-8(2-4-9)5-6-21-12-17-10(19)7-11(20)18-12/h1-4,7H,5-6H2,(H2,17,18,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HABZSIKHKMINCS-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