General Information of the Compound
| Compound ID |
CP0536867
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-amino-6-benzylthieno[2,3-d]pyrimidin-2-yl)pyridine-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H13N5S
|
||||||||||||||||||
| Molecular Weight |
343.415
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(nc2sc(Cc3ccccc3)cc12)-c1cccc(n1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H13N5S/c20-11-13-7-4-8-16(22-13)18-23-17(21)15-10-14(25-19(15)24-18)9-12-5-2-1-3-6-12/h1-8,10H,9H2,(H2,21,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BCIJZIDPONGWKE-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