General Information of the Compound
| Compound ID |
CP0549274
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(3-methylphenyl)sulfanyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
Show/Hide
|
||||||||||||||||||
| Formula |
C12H10N4OS
|
||||||||||||||||||
| Molecular Weight |
258.306
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(Sc2ccc3n[nH]c(=O)n3n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H10N4OS/c1-8-3-2-4-9(7-8)18-11-6-5-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXFWYSKRDAZEEN-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 | |||||||||||||||||||
| 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