General Information of the Compound
| Compound ID |
CP0684505
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-chlorophenyl)-4-ethoxy-N-(2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazinyl)ethyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21ClN4O4S
|
||||||||||||||||||
| Molecular Weight |
472.954
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2ccc(Cl)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClN4O4S/c1-2-31-20-10-12-21(13-11-20)32(29,30)27(19-8-6-17(23)7-9-19)16-22(28)26-25-15-18-5-3-4-14-24-18/h3-15H,2,16H2,1H3,(H,26,28)/b25-15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULLDHNAKOOJKFD-MFKUBSTISA-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