General Information of the Compound
| Compound ID |
CP0504701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-N-[1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)butyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H21ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
356.879
|
||||||||||||||||||
| Canonical SMILES |
CCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1nnc(C)n1CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H21ClN4O2S/c1-4-6-14(15-18-17-11(3)20(15)5-2)19-23(21,22)13-9-7-12(16)8-10-13/h7-10,14,19H,4-6H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNYQLJFUOXGDMF-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