General Information of the Compound
| Compound ID |
CP0420489
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3-dimethyl-9-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32N6O3
|
||||||||||||||||||
| Molecular Weight |
452.559
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2nc3N(CCc4ccc(OCCN5CCCC5)cc4)CCCn3c2c(=O)n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32N6O3/c1-26-21-20(22(31)27(2)24(26)32)30-14-5-13-29(23(30)25-21)15-10-18-6-8-19(9-7-18)33-17-16-28-11-3-4-12-28/h6-9H,3-5,10-17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YZUNMCDJGDQNBM-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3