General Information of the Compound
| Compound ID |
CP0560741
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S,4R,5R)-5-[5-[2-(5-fluorothiophen-2-yl)ethynyl]-7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C19H18FN5O4S
|
||||||||||||||||||
| Molecular Weight |
431.449
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)cc(nc12)C#Cc1ccc(F)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18FN5O4S/c1-21-11-7-9(3-4-10-5-6-12(20)30-10)24-17-13(11)23-8-25(17)19-15(27)14(26)16(29-19)18(28)22-2/h5-8,14-16,19,26-27H,1-2H3,(H,21,24)(H,22,28)/t14-,15+,16-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WXXFKKWTNMXWEC-CYJAXWMASA-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 | |||||||||||||||||||
| 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: PT01279, Adenosine receptor A3
Protein ID: PT05025, Adenosine receptor A3