Molecule Category Salt-form
UNII MQD255M2ZO
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key NNFCIKHAZHQZJG-UHFFFAOYSA-N
Smiles [K+].[C-]#N
InChI
InChI=1S/CN.K/c1-2;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula CKN
Molecular Weight 65.12
AlogP 0.1
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 2.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 69000 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Agaricus bisporus
- 24000 - - -
Botryotinia fuckeliana
- - - - 35-100
Oryctolagus cuniculus
- 69000 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2228308
FDA SRS MQD255M2ZO
PubChem 9032
SureChEMBL SCHEMBL1284