General Information of the Compound
| Compound ID |
CP0484246
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methyl-2-[[methyl(propyl)amino]methyl]-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H19N5OS
|
||||||||||||||||||
| Molecular Weight |
317.418
|
||||||||||||||||||
| Canonical SMILES |
CCCN(C)Cn1nc2n(C)c(=O)c3ccccc3n2c1=S
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H19N5OS/c1-4-9-17(2)10-19-15(22)20-12-8-6-5-7-11(12)13(21)18(3)14(20)16-19/h5-8H,4,9-10H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ARVXSSVHBIIKPE-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