General Information of the Compound
| Compound ID |
CP0552686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]oxolane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27N7O3
|
||||||||||||||||||
| Molecular Weight |
413.482
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)n(C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(NC4CCCC4)ncnc23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N7O3/c1-11-7-12(2)27(25-11)8-14-16(28)17(29)20(30-14)26-10-23-15-18(21-9-22-19(15)26)24-13-5-3-4-6-13/h7,9-10,13-14,16-17,20,28-29H,3-6,8H2,1-2H3,(H,21,22,24)/t14-,16-,17-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMOXXFGVTZFHKZ-WVSUBDOOSA-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