General Information of the Compound
| Compound ID |
CP0491866
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4R,5S)-2-[6-(2-bicyclo[2.2.1]heptanylamino)purin-9-yl]-5-[(2-fluorophenyl)sulfanylmethyl]-3-methyloxolane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28FN5O3S
|
||||||||||||||||||
| Molecular Weight |
485.585
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28FN5O3S/c1-24(32)20(31)17(10-34-18-5-3-2-4-15(18)25)33-23(24)30-12-28-19-21(26-11-27-22(19)30)29-16-9-13-6-7-14(16)8-13/h2-5,11-14,16-17,20,23,31-32H,6-10H2,1H3,(H,26,27,29)/t13?,14?,16?,17-,20-,23-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NHVSFMHVXXRXTK-FKVZXCLDSA-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