General Information of the Compound
| Compound ID |
CP0475413
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-methoxyphenyl)-4-[2-[4-(trifluoromethyl)phenyl]sulfonylphenyl]triazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H16F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
459.449
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1-n1cc(nn1)-c1ccccc1S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H16F3N3O3S/c1-31-20-8-4-3-7-19(20)28-14-18(26-27-28)17-6-2-5-9-21(17)32(29,30)16-12-10-15(11-13-16)22(23,24)25/h2-14H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YEZGSUZTASVTCA-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