General Information of the Compound
| Compound ID |
CP0673504
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-(5-methyl-1,3,4-thiadiazol-2-ylthio)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H12N2O3S2
|
||||||||||||||||||
| Molecular Weight |
308.384
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnc(SCC(=O)c2ccc3c(c2)OCCO3)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H12N2O3S2/c1-8-14-15-13(20-8)19-7-10(16)9-2-3-11-12(6-9)18-5-4-17-11/h2-3,6H,4-5,7H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZRXJBLVWZAOWQL-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