General Information of the Compound
| Compound ID |
CP0471746
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(dimethylamino)ethylsulfanyl]-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H15N3OS2
|
||||||||||||||||||
| Molecular Weight |
305.428
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCSc1nc2c3ccccc3sc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H15N3OS2/c1-17(2)7-8-19-14-15-11-9-5-3-4-6-10(9)20-12(11)13(18)16-14/h3-6H,7-8H2,1-2H3,(H,15,16,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCTIVNWXNLVFJU-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