General Information of the Compound
| Compound ID |
CP0504699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-N-[1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-2-phenylethyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23ClN4O2S
|
||||||||||||||||||
| Molecular Weight |
418.95
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c(C)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23ClN4O2S/c1-3-13-25-15(2)22-23-20(25)19(14-16-7-5-4-6-8-16)24-28(26,27)18-11-9-17(21)10-12-18/h4-12,19,24H,3,13-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBNQCSLDUVNFOG-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