General Information of the Compound
| Compound ID |
CP0502574
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-cyano-3-phenyl-1,2,5-oxadiazole 2-oxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H5N3O2
|
||||||||||||||||||
| Molecular Weight |
187.158
|
||||||||||||||||||
| Canonical SMILES |
[O-][n+]1onc(C#N)c1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H5N3O2/c10-6-8-9(12(13)14-11-8)7-4-2-1-3-5-7/h1-5H
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJOXYPNQASUCHB-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02516, Multidrug resistance-associated protein 1