General Information of the Compound
| Compound ID |
CP0460953
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-[(3-chloro-4-methoxyphenyl)methyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20ClN5O3
|
||||||||||||||||||
| Molecular Weight |
389.843
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20ClN5O3/c1-21-15-14(16(25)22(2)18(21)26)24-8-4-7-23(17(24)20-15)10-11-5-6-13(27-3)12(19)9-11/h5-6,9H,4,7-8,10H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HVFBZUURAZGZKR-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3