CYROMAZINE

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Synonyms
UNII CA49Y29RA9
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 LVQDKIWDGQRHTE-UHFFFAOYSA-N
Smiles Nc1nc(N)nc(NC2CC2)n1
InChI
InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10N6
Molecular Weight 166.18
AlogP 0.31
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 102.74
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 12.0
Assay Description Organism Bioactivity Reference
Drug recovery in flower of Gerbera jamesonii grown in closed hydroponic system at 45 g applied through nutrient solution measured on day 56 post-treatment by gas chromatographic analysis Gerbera jamesonii 27.0 %
Drug recovery in flower of Gerbera jamesonii grown in closed hydroponic system at 22.5 g applied through nutrient solution measured on day 56 post-treatment by gas chromatographic analysis Gerbera jamesonii 44.0 %
Drug recovery in leaf of Gerbera jamesonii grown in closed hydroponic system at 45 g applied through nutrient solution measured on day 56 post-treatment by gas chromatographic analysis Gerbera jamesonii 27.0 %
Drug recovery in leaf of Gerbera jamesonii grown in closed hydroponic system at 22.5 g applied through nutrient solution measured on day 56 post-treatment by gas chromatographic analysis Gerbera jamesonii 44.0 %
Drug recovery in root of Gerbera jamesonii grown in closed hydroponic system at 45 g applied through nutrient solution measured on day 56 post-treatment by gas chromatographic analysis Gerbera jamesonii 27.0 %
Drug recovery in root of Gerbera jamesonii grown in closed hydroponic system at 22.5 g applied through nutrient solution measured on day 56 post-treatment by gas chromatographic analysis Gerbera jamesonii 44.0 %
Drug level in leaf of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 375 mg/l applied through nutrient solution measured on day 50 post-treatment in summer by gas chromatographic analysis Gerbera jamesonii 65.8 mg kg-1
Drug level in leaf of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 375 mg/l applied through nutrient solution measured on day 14 post-treatment in summer by gas chromatographic analysis Gerbera jamesonii 232.4 mg kg-1
Drug level in flower of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 750 mg/l applied through nutrient solution measured on day 121 post-treatment in winter by gas chromatographic analysis Gerbera jamesonii 2.2 mg kg-1
Drug level in flower of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 375 mg/l applied through nutrient solution measured on day 121 post-treatment in winter by gas chromatographic analysis Gerbera jamesonii 1.9 mg kg-1
Drug level in flower of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 750 mg/l applied through nutrient solution measured on day 56 post-treatment in winter by gas chromatographic analysis Gerbera jamesonii 48.2 mg kg-1
Drug level in flower of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 375 mg/l applied through nutrient solution measured on day 56 post-treatment in winter by gas chromatographic analysis Gerbera jamesonii 32.3 mg kg-1
Drug level in flower of Gerbera jamesonii grown in closed hydroponic system at 750 mg/l applied through nutrient solution measured 48 hr post-treatment in winter by gas chromatographic analysis Gerbera jamesonii None
Drug level in flower of Gerbera jamesonii grown in closed hydroponic system at 375 mg/l applied through nutrient solution measured 48 hr post-treatment in winter by gas chromatographic analysis Gerbera jamesonii None
Drug level in leaf of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 750 mg/l applied through nutrient solution measured on day 121 post-treatment in winter by gas chromatographic analysis Gerbera jamesonii 61.8 mg kg-1
Drug level in leaf of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 375 mg/l applied through nutrient solution measured on day 121 post-treatment in winter by gas chromatographic analysis Gerbera jamesonii 51.5 mg kg-1
Drug level in leaf of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 750 mg/l applied through nutrient solution measured on day 56 post-treatment in winter by gas chromatographic analysis Gerbera jamesonii 129.7 mg kg-1
Drug level in leaf of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 375 mg/l applied through nutrient solution measured on day 56 post-treatment in winter by gas chromatographic analysis Gerbera jamesonii 105.0 mg kg-1
Drug level in root of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 750 mg/l applied through nutrient solution measured on day 121 post-treatment in winter by gas chromatographic analysis Gerbera jamesonii 15.1 mg kg-1
Drug level in root of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 375 mg/l applied through nutrient solution measured on day 121 post-treatment in winter by gas chromatographic analysis Gerbera jamesonii 12.2 mg kg-1
Drug level in root of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 750 mg/l applied through nutrient solution measured on day 17 post-treatment in winter by gas chromatographic analysis Gerbera jamesonii 93.0 mg kg-1
Drug level in root of Gerbera jamesonii grown in closed hydroponic system assessed per fresh weight at 375 mg/l applied through nutrient solution measured on day 17 post-treatment in winter by gas chromatographic analysis Gerbera jamesonii 105.0 mg kg-1

Cross References

Resources Reference
ChEMBL CHEMBL1231107
FDA SRS CA49Y29RA9
PDB AX3
PubChem 47866
SureChEMBL SCHEMBL27231
ZINC ZINC00001239
CONTENTS