General Information of the Compound
| Compound ID |
CP0856401
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-((5,6-dihydropyridin-1(2H)-yl)methyl)-2-(oxazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H15N5OS
|
||||||||||||||||||
| Molecular Weight |
313.386
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(-c2ncco2)nc2sc(CN3CC=CCC3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H15N5OS/c16-12-11-8-10(9-20-5-2-1-3-6-20)22-15(11)19-13(18-12)14-17-4-7-21-14/h1-2,4,7-8H,3,5-6,9H2,(H2,16,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SHKCYAQXYCFAIU-UHFFFAOYSA-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