General Information of the Compound
| Compound ID |
CP0565643
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-propan-2-yl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Show/Hide
|
||||||||||||||||||
| Formula |
C12H12N4OS
|
||||||||||||||||||
| Molecular Weight |
260.322
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1c2n[nH]c(=S)n2c2ccccc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H12N4OS/c1-7(2)15-10(17)8-5-3-4-6-9(8)16-11(15)13-14-12(16)18/h3-7H,1-2H3,(H,14,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DLOSRXVROQPHNY-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