General Information of the Compound
| Compound ID |
CP0094769
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[(2,4-dichlorophenyl)methylsulfanyl]-1H-pyrimidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H8Cl2N2OS
|
||||||||||||||||||
| Molecular Weight |
287.171
|
||||||||||||||||||
| Canonical SMILES |
Oc1nccc(SCc2ccc(Cl)cc2Cl)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H8Cl2N2OS/c12-8-2-1-7(9(13)5-8)6-17-10-3-4-14-11(16)15-10/h1-5H,6H2,(H,14,15,16)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBLFGWABFBUIIW-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