General Information of the Compound
| Compound ID |
CP0914927
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-Chlorophenylthio)-N'-(3,4-dimethoxybenzylidene)propanehydrazide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
378.881
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(/C=N/NC(=O)C(C)Sc2cccc(Cl)c2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19ClN2O3S/c1-12(25-15-6-4-5-14(19)10-15)18(22)21-20-11-13-7-8-16(23-2)17(9-13)24-3/h4-12H,1-3H3,(H,21,22)/b20-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YIWBPHCNWWVUAT-RGVLZGJSSA-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