General Information of the Compound
| Compound ID |
CP0446716
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(3-methoxyphenyl)-5-phenyl-1,2,4-triazol-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15N3O2
|
||||||||||||||||||
| Molecular Weight |
293.326
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-c1nc(-c2ccccc2)n(n1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15N3O2/c1-12(21)20-17(13-7-4-3-5-8-13)18-16(19-20)14-9-6-10-15(11-14)22-2/h3-11H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTDDITGWSPFJKW-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
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta