General Information of the Compound
| Compound ID |
CP0392989
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-(2-(1H-indol-3-yl)ethyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N6O2
|
||||||||||||||||||
| Molecular Weight |
378.436
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N6O2/c1-23-17-16(18(27)24(2)20(23)28)26-10-5-9-25(19(26)22-17)11-8-13-12-21-15-7-4-3-6-14(13)15/h3-4,6-7,12,21H,5,8-11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUJKERUFRDZALE-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
Protein ID: PT05453, G-protein coupled receptor 55
Protein ID: PT06110, N-arachidonyl glycine receptor