General Information of the Compound
| Compound ID |
CP0554638
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-fluoro-6-methoxyphenyl)-4-[2-(4-nitrophenyl)sulfanylphenyl]triazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15FN4O3S
|
||||||||||||||||||
| Molecular Weight |
422.441
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(F)c1-n1cc(nn1)-c1ccccc1Sc1ccc(cc1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15FN4O3S/c1-29-19-7-4-6-17(22)21(19)25-13-18(23-24-25)16-5-2-3-8-20(16)30-15-11-9-14(10-12-15)26(27)28/h2-13H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWBUIYMOBARSID-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