General Information of the Compound
| Compound ID |
CP0415649
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Chloro-N6-(+/-)-endo-norbornyl-9H-[2-C-methyl-5-deoxy-5-(2-fluorophenylthio)-beta-D-ribofuranosyl]adenine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27ClFN5O3S
|
||||||||||||||||||
| Molecular Weight |
520.03
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(O)[C@H](O)[C@@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27ClFN5O3S/c1-24(33)19(32)16(10-35-17-5-3-2-4-14(17)26)34-22(24)31-11-27-18-20(29-23(25)30-21(18)31)28-15-9-12-6-7-13(15)8-12/h2-5,11-13,15-16,19,22,32-33H,6-10H2,1H3,(H,28,29,30)/t12?,13?,15?,16-,19-,22-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HBQQLUQZBVQYNK-OHNWYQNPSA-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