General Information of the Compound
| Compound ID |
CP0353552
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-ethyl-8-(furan-2-yl)purin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H11N5O
|
||||||||||||||||||
| Molecular Weight |
229.243
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(nc2c(N)ncnc12)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H11N5O/c1-2-16-10(7-4-3-5-17-7)15-8-9(12)13-6-14-11(8)16/h3-6H,2H2,1H3,(H2,12,13,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SUGBMFVITGLGIX-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