General Information of the Compound
| Compound ID |
CP0391513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(furan-2-yl)-5-(methylamino)-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N6O2
|
||||||||||||||||||
| Molecular Weight |
362.393
|
||||||||||||||||||
| Canonical SMILES |
CNc1ncc(C(=O)NCc2ccc(C)cc2)c2nc(nn12)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N6O2/c1-12-5-7-13(8-6-12)10-21-18(26)14-11-22-19(20-2)25-17(14)23-16(24-25)15-4-3-9-27-15/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZZVLIAOJYESIY-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