General Information of the Compound
| Compound ID |
CP0492476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-[1-(4-chlorophenyl)cyclobutyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20ClN5
|
||||||||||||||||||
| Molecular Weight |
365.868
|
||||||||||||||||||
| Canonical SMILES |
CNc1nc(NC2(CCC2)c2ccc(Cl)cc2)cc(n1)-c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20ClN5/c1-22-19-24-17(16-5-2-3-12-23-16)13-18(25-19)26-20(10-4-11-20)14-6-8-15(21)9-7-14/h2-3,5-9,12-13H,4,10-11H2,1H3,(H2,22,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLBKMJDLCJIFHY-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
Protein ID: PT03123, G-protein coupled receptor 39
Protein ID: PT05121, G-protein coupled receptor 39