General Information of the Compound
| Compound ID |
CP0463061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Chloro-4-hydroxy-benzoic acid [4-(propane-2-sulfonyl)-naphthalen-1-ylmethylene]-hydrazide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
430.913
|
||||||||||||||||||
| Canonical SMILES |
CC(C)S(=O)(=O)c1ccc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19ClN2O4S/c1-13(2)29(27,28)20-10-8-15(16-5-3-4-6-17(16)20)12-23-24-21(26)14-7-9-19(25)18(22)11-14/h3-13,25H,1-2H3,(H,24,26)/b23-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLZMDDDWPQZYHY-FSJBWODESA-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