General Information of the Compound
| Compound ID |
CP0432961
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2,6-diphenylpyrimidin-4-yl)-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
820961-44-2
BDBM50157658
CHEMBL222433
CTK3E2659
DTXSID20462085
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
Propanamide, N-(2,6-diphenyl-4-pyrimidinyl)-2-methyl-
SCHEMBL4822464
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N3O
|
||||||||||||||||||
| Molecular Weight |
317.392
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)Nc1cc(nc(n1)-c1ccccc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N3O/c1-14(2)20(24)23-18-13-17(15-9-5-3-6-10-15)21-19(22-18)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONJOWWUQGQUDTK-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3
Clinical Information about the Compound