General Information of the Compound
| Compound ID |
CP0434928
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-ethylphenyl)methyl 2-(furan-2-yl)-5-(methylamino)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N5O3
|
||||||||||||||||||
| Molecular Weight |
377.404
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(COC(=O)c2cnc(NC)n3nc(nc23)-c2ccco2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N5O3/c1-3-13-6-8-14(9-7-13)12-28-19(26)15-11-22-20(21-2)25-18(15)23-17(24-25)16-5-4-10-27-16/h4-11H,3,12H2,1-2H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHHCKUUYYUDSJU-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3