General Information of the Compound
| Compound ID |
CP0380866
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 5-(cyclobutylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17N5O3
|
||||||||||||||||||
| Molecular Weight |
327.344
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cnc(NC2CCC2)n2nc(nc12)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17N5O3/c1-2-23-15(22)11-9-17-16(18-10-5-3-6-10)21-14(11)19-13(20-21)12-7-4-8-24-12/h4,7-10H,2-3,5-6H2,1H3,(H,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTLUTVCULNPCPA-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