General Information of the Compound
| Compound ID |
CP0373607
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-(2-oxo-2-(pyridin-4-ylamino)ethoxy)phenylamino)-9H-purin-9-yl)-tetrahydrofuran-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N8O6
|
||||||||||||||||||
| Molecular Weight |
534.533
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(OCC(=O)Nc4ccncc4)cc3)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N8O6/c1-2-27-24(37)21-19(35)20(36)25(39-21)33-13-30-18-22(28-12-29-23(18)33)32-14-3-5-16(6-4-14)38-11-17(34)31-15-7-9-26-10-8-15/h3-10,12-13,19-21,25,35-36H,2,11H2,1H3,(H,27,37)(H,26,31,34)(H,28,29,32)/t19-,20+,21-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZBRERBUNURQNL-UGCAPWQASA-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