General Information of the Compound
| Compound ID |
CP0850772
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-azepan-1-ylmethyl-2-(5-chloro-furan-2-yl)-thieno[2,3-d]pyrimidin-4-ylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19ClN4OS
|
||||||||||||||||||
| Molecular Weight |
362.886
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCCCCC3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19ClN4OS/c18-14-6-5-13(23-14)16-20-15(19)12-9-11(24-17(12)21-16)10-22-7-3-1-2-4-8-22/h5-6,9H,1-4,7-8,10H2,(H2,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OJRPIQOVUDLNTN-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