UNII F3WG2VVD87
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 FQKUGOMFVDPBIZ-UHFFFAOYSA-N
Smiles C[Si](Cn1cncn1)(c2ccc(F)cc2)c3ccc(F)cc3
InChI
InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15F2N3Si
Molecular Weight 315.39
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None
Assay Description Organism Bioactivity Reference
Fungicidal activity against Cladosporium cucumerinum infected drug-pretreated cucumber two seeded leaves assessed as decrease in disease index at 40% SC formulation (acetone Rvb = 3.18 +/-0.75%) Cladosporium cucumerinum 95.56 %
In vivo antifungal activity against Puccinia recondita infected wheat seedlings assessed as reduction in wheat leaf rust disease symptoms development at 2 ug/ml treated 1 day before spore inoculation measured 7 days after inoculation Puccinia recondita 78.0 %
In vivo antifungal activity against Puccinia recondita infected wheat seedlings assessed as reduction in wheat leaf rust disease symptoms development at 10 ug/ml treated 1 day before spore inoculation measured 7 days after inoculation Puccinia recondita 100.0 %
Antifungal activity against Leptosphaeria maculans assessed as ascospore germination at 0.25 to 1 ug/ml after 22 hr Leptosphaeria maculans 96.0 %
Resistance index, ratio of EC50 for prochloraz-resistant Oculimacula yallundae isolate ProR2 to EC50 for prochloraz-susceptible Oculimacula yallundae isolate ProS by germ tube elongation inhibition assay Oculimacula yallundae 5.0
Resistance index, ratio of EC50 for prochloraz-resistant Oculimacula yallundae isolate ProR1 to EC50 for prochloraz-susceptible Oculimacula yallundae isolate ProS by germ tube elongation inhibition assay Oculimacula yallundae 2.5
Resistance index, ratio of EC50 for prochloraz-resistant Oculimacula yallundae isolate ProR2 to EC50 for prochloraz-susceptible Oculimacula yallundae isolate ProS by mycelial growth inhibition assay Oculimacula yallundae 6.2
Resistance index, ratio of EC50 for prochloraz-resistant Oculimacula yallundae isolate ProR1 to EC50 for prochloraz-susceptible Oculimacula yallundae isolate ProS by mycelial growth inhibition assay Oculimacula yallundae 5.0
Fungicidal activity against prochloraz-susceptible Oculimacula yallundae isolate ProS assessed as inhibition of germ tube elongation incubated at 19 degC in dark for 48 hr Oculimacula yallundae 0.2 ug.mL-1
Fungicidal activity against prochloraz-susceptible Oculimacula yallundae isolate ProS assessed as inhibition of mycelial growth in presence of 10 g glucose incubated at 19 degC in dark for 4 weeks Oculimacula yallundae 0.4 ug.mL-1
Selectivity index, ratio of EC50 for Oculimacula acuformis to EC50 for Oculimacula yallundae in presence of 10 g glucose by mycelial growth inhibition assay None 6.7
Fungicidal activity against Oculimacula yallundae assessed as inhibition of mycelial growth in presence of 10 g glucose incubated at 19 degC in dark for 4 weeks Oculimacula yallundae 0.06 ug.mL-1
Fungicidal activity against Oculimacula acuformis assessed as inhibition of mycelial growth in presence of 10 g glucose incubated at 19 degC in dark for 4 weeks Oculimacula acuformis 0.4 ug.mL-1
Selectivity index, ratio of EC50 for Oculimacula acuformis to EC50 for Oculimacula yallundae by germ tube elongation inhibition assay None 25.0
Fungicidal activity against Oculimacula yallundae assessed as inhibition of germ tube elongation incubated at 19 degC in dark for 48 hr Oculimacula yallundae 0.008 ug.mL-1
Fungicidal activity against Oculimacula acuformis assessed as inhibition of germ tube elongation incubated at 19 degC in dark for 48 hr Oculimacula acuformis 0.2 ug.mL-1
Fungicidal activity against Neofusicoccum luteum infected Pinot noir grapevine assessed as mean pathogen compound applied 24 hr prior inoculation to pruning wound measured after 1 year Neofusicoccum luteum 0.0 %
Fungicidal activity against Neofusicoccum luteum infected Pinot noir grapevine assessed as pathogen incidence at area beyond node compound applied 24 hr prior inoculation to pruning wound measured after 1 year Neofusicoccum luteum 0.0 %
Fungicidal activity against Neofusicoccum luteum infected Pinot noir grapevine assessed as pathogen incidence at closest side shoot compound applied 24 hr prior inoculation to pruning wound measured after 6 months Neofusicoccum luteum 0.0 %
Fungicidal activity against Neofusicoccum luteum infected Pinot noir grapevine assessed as non-lesion areas compound applied 24 hr prior inoculation to pruning wound measured after 1 year Neofusicoccum luteum 0.0 %
Fungicidal activity against Neofusicoccum luteum infected Pinot noir grapevine assessed as pathogen incidence at dieback edges compound applied 24 hr prior inoculation to pruning wound measured after 1 year Neofusicoccum luteum 0.0 %
Fungicidal activity against Neofusicoccum luteum infected Pinot noir grapevine assessed as pathogen incidence at dieback sites compound applied 24 hr prior inoculation to pruning wound measured after 1 year Neofusicoccum luteum 0.0 %
Fungicidal activity against Neofusicoccum luteum infected Pinot noir grapevine assessed as pathogen incidence at 4 g AI /100 L applied 24 hr prior inoculation to pruning wound measured after 3 months Neofusicoccum luteum 0.0 %
Fungicidal activity against Neofusicoccum luteum infected Pinot noir grapevine assessed as dieback lesion length at 4 g AI /100 L applied 24 hr prior inoculation to pruning wound measured after 3 months Neofusicoccum luteum 41.4 mm
Fungicidal activity against Diplodia mutila Q assessed as conidial germination inhibition after 48 hr Diplodia mutila 0.56 mgAi/L
Fungicidal activity against Diplodia mutila F (12)2 assessed as conidial germination inhibition after 48 hr Diplodia mutila 0.56 mgAi/L
Fungicidal activity against Diplodia mutila Iso-2 assessed as conidial germination inhibition after 48 hr Diplodia mutila 0.56 mgAi/L
Fungicidal activity against Neofusicoccum luteum N(12)2 assessed as conidial germination inhibition after 48 hr Neofusicoccum luteum 1.23 mgAi/L
Fungicidal activity against Neofusicoccum luteum M (13)8 assessed as conidial germination inhibition after 48 hr Neofusicoccum luteum 1.23 mgAi/L
Fungicidal activity against Neofusicoccum luteum G(s)-1 assessed as conidial germination inhibition after 48 hr Neofusicoccum luteum 1.23 mgAi/L
Fungicidal activity against Neofusicoccum australe J-3 assessed as conidial germination inhibition after 48 hr Neofusicoccum australe 1.34 mgAi/L
Fungicidal activity against Neofusicoccum australe Mel-2 assessed as conidial germination inhibition after 48 hr Neofusicoccum australe 1.34 mgAi/L
Fungicidal activity against Neofusicoccum australe Kat-1 assessed as conidial germination inhibition after 48 hr Neofusicoccum australe 1.34 mgAi/L
Fungicidal activity against Diplodia mutila Q assessed as mycelial growth inhibition after 48 hr Diplodia mutila 0.001 mgAi/L
Fungicidal activity against Diplodia mutila Iso-2 assessed as mycelial growth inhibition after 48 hr Diplodia mutila 0.001 mgAi/L
Fungicidal activity against Diplodia mutila F (12)2 assessed as mycelial growth inhibition after 48 hr Diplodia mutila 0.001 mgAi/L
Fungicidal activity against Neofusicoccum luteum M (13)8 assessed as mycelial growth inhibition after 48 hr Neofusicoccum luteum 0.003 mgAi/L
Fungicidal activity against Neofusicoccum luteum N(12)2 assessed as mycelial growth inhibition after 48 hr Neofusicoccum luteum 0.003 mgAi/L
Fungicidal activity against Neofusicoccum luteum G(s)-1 assessed as mycelial growth inhibition after 48 hr Neofusicoccum luteum 0.003 mgAi/L
Fungicidal activity against Neofusicoccum australe J-3 assessed as mycelial growth inhibition after 48 hr Neofusicoccum australe 0.002 mgAi/L
Fungicidal activity against Neofusicoccum australe Mel-2 assessed as mycelial growth inhibition after 48 hr Neofusicoccum australe 0.002 mgAi/L
Fungicidal activity against Neofusicoccum australe Kat-1 assessed as mycelial growth inhibition after 48 hr Neofusicoccum australe 0.002 mgAi/L
Fungicidal activity against Phaeosphaeria nodorum inoculated in 24 hr compound-treated plant foliage assessed as disease control at 20 ppm measured after 7 days Phaeosphaeria nodorum 99.0 %
Fungicidal activity against Oculimacula yallundae inoculated in 24 hr compound-treated plant foliage assessed as disease control at 20 ppm measured after 7 days Oculimacula yallundae 98.0 %
Fungitoxicity against highly fenhexamid resistant Monilinia laxa MF-2 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.1 ug.mL-1
Fungitoxicity against highly fenhexamid resistant Monilinia laxa MF-3 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.1 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-7 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.2 ug.mL-1
Fungitoxicity against highly fenhexamid resistant Monilinia laxa MF-5 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.1 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-4 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.1 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-22 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.4 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-8 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.2 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-6 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.3 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-1 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.2 ug.mL-1
Fungitoxicity against wild type Monilinia laxa K2 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.1 ug.mL-1
Antifungal activity against Leptosphaeria biglobosa assessed as inhibition of mycelial growth after 7 days Leptosphaeria biglobosa 0.67 ug ml-1
Antifungal activity against Leptosphaeria maculans assessed as inhibition of mycelial growth after 17 days Leptosphaeria maculans 0.27 ug ml-1
Antifungal activity against Leptosphaeria biglobosa assessed as viable conidia at 0.25 to 1 ug/ml after 1 week Leptosphaeria biglobosa None
Antifungal activity against Leptosphaeria maculans assessed as viable conidia at 0.25 to 1 ug/ml after 1 week Leptosphaeria maculans None
Antifungal activity against Leptosphaeria maculans assessed as reduction of conidia production at 0.25 to 1 ug/ml after 2 weeks Leptosphaeria maculans None
Antifungal activity against Leptosphaeria biglobosa assessed as reduction of conidia production at 0.25 to 1 ug/ml after 2 weeks Leptosphaeria biglobosa None
Antifungal activity against Leptosphaeria biglobosa assessed as viable ascospore at 0.25 to 1 ug/ml after 1 week Leptosphaeria biglobosa None
Antifungal activity against Leptosphaeria maculans assessed as viable ascospore at 0.25 to 1 ug/ml after 1 week Leptosphaeria maculans None
Antifungal activity against Leptosphaeria biglobosa assessed as reduction of germ tube length at 1 ug/ml after 22 hr relative to control Leptosphaeria biglobosa 53.8 %
Antifungal activity against Leptosphaeria biglobosa assessed as reduction of germ tube length at 0.5 ug/ml after 22 hr relative to control Leptosphaeria biglobosa 56.3 %
Antifungal activity against Leptosphaeria biglobosa assessed as reduction of germ tube length at 0.25 ug/ml after 22 hr relative to control Leptosphaeria biglobosa 56.9 %
Antifungal activity against Leptosphaeria maculans assessed as reduction of germ tube length at 1 ug/ml after 22 hr relative to control Leptosphaeria maculans 22.5 %
Antifungal activity against Leptosphaeria maculans assessed as reduction of germ tube length at 0.5 ug/ml after 22 hr relative to control Leptosphaeria maculans 22.1 %
Antifungal activity against Leptosphaeria maculans assessed as reduction of germ tube length at 0.25 ug/ml after 22 hr relative to control Leptosphaeria maculans 15.9 %
Antifungal activity against Leptosphaeria biglobosa assessed as inhibition of conidia germination at 0.25 to 1 ug/ml after 22 hr Leptosphaeria biglobosa None
Antifungal activity against Leptosphaeria maculans assessed as inhibition of conidia germination at 0.25 to 1 ug/ml after 22 hr Leptosphaeria maculans None
Antifungal activity against Leptosphaeria biglobosa assessed as ascospore germination at 0.25 to 1 ug/ml after 22 hr Leptosphaeria biglobosa 94.0 %

Cross References

Resources Reference
ChEMBL CHEMBL1900522
FDA SRS F3WG2VVD87
PubChem 73675
SureChEMBL SCHEMBL21313