General Information of the Compound
| Compound ID |
CP0950702
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-((4,5-dimethoxypyridin-2-yl)methylene)-2-(3-(hydroxymethyl)phenylthio)acetohydrazide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20N2O4S
|
||||||||||||||||||
| Molecular Weight |
360.435
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(/C=N/NC(=O)CSc2cccc(CO)c2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N2O4S/c1-23-16-7-6-13(9-17(16)24-2)10-19-20-18(22)12-25-15-5-3-4-14(8-15)11-21/h3-10,21H,11-12H2,1-2H3,(H,20,22)/b19-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MKDFVENOERKFBQ-VXLYETTFSA-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