General Information of the Compound
| Compound ID |
CP0490471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,5-dimethoxyphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19N3O4S
|
||||||||||||||||||
| Molecular Weight |
373.434
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OC)c(c1)-n1nnc(c1C)S(=O)(=O)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19N3O4S/c1-12-5-8-15(9-6-12)26(22,23)18-13(2)21(20-19-18)16-11-14(24-3)7-10-17(16)25-4/h5-11H,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXYRRGYZBRAKFU-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