General Information of the Compound
| Compound ID |
CP0526901
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-((1H-1,2,4-triazol-1-yl)methyl)-4'-hydroxybiphenyl-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12N4O
|
||||||||||||||||||
| Molecular Weight |
276.299
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1)-c1cc(Cn2cncn2)ccc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12N4O/c17-8-14-2-1-12(9-20-11-18-10-19-20)7-16(14)13-3-5-15(21)6-4-13/h1-7,10-11,21H,9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OLYDACSQBIJZBV-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