General Information of the Compound
| Compound ID |
CP0552164
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-piperidin-1-ylethylsulfanyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N3OS2
|
||||||||||||||||||
| Molecular Weight |
345.493
|
||||||||||||||||||
| Canonical SMILES |
O=c1[nH]c(SCCN2CCCCC2)nc2c3ccccc3sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N3OS2/c21-16-15-14(12-6-2-3-7-13(12)23-15)18-17(19-16)22-11-10-20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-11H2,(H,18,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBQPOQLYIGLQCY-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