General Information of the Compound
| Compound ID |
CP0292429
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-3-hydroxyphenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22N4O6
|
||||||||||||||||||
| Molecular Weight |
402.407
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N4O6/c1-3-7-22-17-15(18(27)23(8-4-2)19(22)28)20-16(21-17)12-6-5-11(9-13(12)24)29-10-14(25)26/h5-6,9,24H,3-4,7-8,10H2,1-2H3,(H,20,21)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUVZVUXLLQCNSO-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: PT01717, Adenosine receptor A1
Protein ID: PT01278, Adenosine receptor A2b