General Information of the Compound
| Compound ID |
CP0575252
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(4-bromophenyl)ethylsulfanyl]-4-hydroxy-1H-pyrimidin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H11BrN2O2S
|
||||||||||||||||||
| Molecular Weight |
327.203
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(=O)[nH]c(SCCc2ccc(Br)cc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H11BrN2O2S/c13-9-3-1-8(2-4-9)5-6-18-12-14-10(16)7-11(17)15-12/h1-4,7H,5-6H2,(H2,14,15,16,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XRGONAAMPHSMIB-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