General Information of the Compound
| Compound ID |
CP0485271
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)phenyl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14N4O
|
||||||||||||||||||
| Molecular Weight |
278.315
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14N4O/c1-11-16(14-7-5-13(6-8-14)12(2)21)18-19-20(11)15-4-3-9-17-10-15/h3-10H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNXOPQMGMKWEHK-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