General Information of the Compound
| Compound ID |
CP0395100
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-cyclopropyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H12N2OS
|
||||||||||||||||||
| Molecular Weight |
220.297
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc2c(nc([nH]c2=O)C2CC2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H12N2OS/c1-2-7-5-8-10(14)12-9(6-3-4-6)13-11(8)15-7/h5-6H,2-4H2,1H3,(H,12,13,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNLXHIJOMOFPFX-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: PT05120, Transmembrane domain-containing protein TMIGD3