General Information of the Compound
| Compound ID |
CP0877429
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-furan-2-yl-6-pyrrolidin-1-ylmethyl-thieno[2,3-d]pyrimidin-4-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H16N4OS
|
||||||||||||||||||
| Molecular Weight |
300.387
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(-c2ccco2)nc2sc(CN3CCCC3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H16N4OS/c16-13-11-8-10(9-19-5-1-2-6-19)21-15(11)18-14(17-13)12-4-3-7-20-12/h3-4,7-8H,1-2,5-6,9H2,(H2,16,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MPLWCHQDAAXUTI-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