General Information of the Compound
| Compound ID |
CP0869371
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N*9*-Ethyl-2-furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine-5,9-diamine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H15ClN8O
|
||||||||||||||||||
| Molecular Weight |
334.771
|
||||||||||||||||||
| Canonical SMILES |
CCNc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1C.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H14N8O.ClH/c1-3-15-11-8-10(18-20(11)2)17-13(14)21-12(8)16-9(19-21)7-5-4-6-22-7;/h4-6,15H,3H2,1-2H3,(H2,14,17,18);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBYGGAIQFQJQJY-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