General Information of the Compound
| Compound ID |
CP0464716
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-isopropyl-2,6-diphenyl-9H-purine
Show/Hide
|
||||||||||||||||||
| Synonyms |
BDBM50186590
CHEMBL204780
LUF-5956
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N4
|
||||||||||||||||||
| Molecular Weight |
314.392
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nc2nc(nc(-c3ccccc3)c2[nH]1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N4/c1-13(2)18-22-17-16(14-9-5-3-6-10-14)21-19(24-20(17)23-18)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,21,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOKKQPCDRVUEPM-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: PT01279, Adenosine receptor A3
Clinical Information about the Compound