General Information of the Compound
| Compound ID |
CP0898627
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-cyclopropylfuran-2-yl)-6-(((2R,6S)-2,6-dimethylpiperidin-1-yl)methyl)thieno[2,3-d]pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N4OS
|
||||||||||||||||||
| Molecular Weight |
382.533
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCC[C@H](C)N1Cc1cc2c(N)nc(-c3ccc(C4CC4)o3)nc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N4OS/c1-12-4-3-5-13(2)25(12)11-15-10-16-19(22)23-20(24-21(16)27-15)18-9-8-17(26-18)14-6-7-14/h8-10,12-14H,3-7,11H2,1-2H3,(H2,22,23,24)/t12-,13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASEQWFSPOTUKPX-BETUJISGSA-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