General Information of the Compound
| Compound ID |
CP0521215
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(4-carboxamidophenyl)ethynyl]-N6-methoxyadenosine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20N6O6
|
||||||||||||||||||
| Molecular Weight |
440.416
|
||||||||||||||||||
| Canonical SMILES |
CONc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C#Cc1ccc(cc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N6O6/c1-31-25-18-14-19(26(9-22-14)20-16(29)15(28)12(8-27)32-20)24-13(23-18)7-4-10-2-5-11(6-3-10)17(21)30/h2-3,5-6,9,12,15-16,20,27-29H,8H2,1H3,(H2,21,30)(H,23,24,25)/t12-,15-,16-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FTCVSTIHSVFDEB-VXHCAWKWSA-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