General Information of the Compound
| Compound ID |
CP0580118
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(6-but-2-ynoxy-1-benzofuran-2-yl)-(1,2,4-triazol-1-yl)methyl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H16N4O2
|
||||||||||||||||||
| Molecular Weight |
368.396
|
||||||||||||||||||
| Canonical SMILES |
CC#CCOc1ccc2cc(oc2c1)C(c1ccc(cc1)C#N)n1cncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H16N4O2/c1-2-3-10-27-19-9-8-18-11-21(28-20(18)12-19)22(26-15-24-14-25-26)17-6-4-16(13-23)5-7-17/h4-9,11-12,14-15,22H,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VCZRCOBTYSEEQW-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 | |||||||||||||||||||
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