General Information of the Compound
| Compound ID |
CP0495994
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-bicyclo[2.2.2]octane-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C20H28N4O4
|
||||||||||||||||||
| Molecular Weight |
388.468
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)[C@@]12CC[C@@](CC1)(CC2)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H28N4O4/c1-3-11-23-14-13(15(25)24(12-4-2)18(23)28)21-16(22-14)19-5-8-20(9-6-19,10-7-19)17(26)27/h3-12H2,1-2H3,(H,21,22)(H,26,27)/t19-,20+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULGKOBWVPCWKOE-BGYRXZFFSA-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