General Information of the Compound
| Compound ID |
CP0508650
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-benzylsulfanyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14ClN3S
|
||||||||||||||||||
| Molecular Weight |
327.84
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(nc(SCc2ccccc2)c1Cl)-c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14ClN3S/c1-12-15(18)17(22-11-13-7-3-2-4-8-13)21-16(20-12)14-9-5-6-10-19-14/h2-10H,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MAVZBFPQRABQFH-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