General Information of the Compound
| Compound ID |
CP0496530
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-chloro-4-propyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Show/Hide
|
||||||||||||||||||
| Formula |
C12H11ClN4OS
|
||||||||||||||||||
| Molecular Weight |
294.767
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c2n[nH]c(=S)n2c2c(Cl)cccc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H11ClN4OS/c1-2-6-16-10(18)7-4-3-5-8(13)9(7)17-11(16)14-15-12(17)19/h3-5H,2,6H2,1H3,(H,15,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTFZQKOKWSGNMN-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