TRANS-CARPROPAMID

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Molecule Category Free-form
UNII 2P9U30AT11
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 RXDMAYSSBPYBFW-ISTVAULSSA-N
Smiles CC[C@@]1([C@H](C)C1(Cl)Cl)C(=O)N[C@H](C)c2ccc(Cl)cc2
InChI
InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10+,14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18Cl3NO
Molecular Weight 334.67
AlogP 4.32
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0
Assay Description Organism Bioactivity Reference
Inhibition of Magnaporthe grisea Hoku-1 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into cellophane membrane at 1 ppm after 7 days by pot test relative to control Magnaporthe grisea 0.0 %
Inhibition of Magnaporthe grisea Hoku-1 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into cellophane membrane at 0.3 ppm after 7 days by pot test relative to control Magnaporthe grisea 2.4 %
Inhibition of Magnaporthe grisea Hoku-1 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into cellophane membrane at 0.1 ppm after 7 days by pot test relative to control Magnaporthe grisea 6.4 %
Inhibition of Magnaporthe grisea Hoku-1 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into cellophane membrane at 0.03 ppm after 7 days by pot test relative to control Magnaporthe grisea 6.4 %
Inhibition of Magnaporthe grisea TH 67-22 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into adaxial epidermal cells at 1 ppm after 7 days by pot test relative to control Magnaporthe grisea 0.0 %
Inhibition of Magnaporthe grisea TH 67-22 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into adaxial epidermal cells at 0.3 ppm after 7 days by pot test relative to control Magnaporthe grisea 17.0 %
Inhibition of Magnaporthe grisea TH 67-22 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into adaxial epidermal cells at 0.1 ppm after 7 days by pot test relative to control Magnaporthe grisea 62.0 %
Inhibition of Magnaporthe grisea infection of rice plant at 0.01 % sprayed onto inoculated rice seedlings at every 2 hr from 2 to 12 hr after inoculation measured after 10 hr Magnaporthe grisea None
Inhibition of Magnaporthe grisea infection of rice plant at 0.01 % sprayed onto inoculated rice seedlings at every 2 hr from 2 to 12 hr after inoculation measured after 8 hr Magnaporthe grisea None
Inhibition of Magnaporthe grisea infection of rice plant at 0.01 % sprayed onto inoculated rice seedlings at every 2 hr from 2 to 12 hr after inoculation measured after 6 hr Magnaporthe grisea None
Inhibition of Magnaporthe grisea TH 67-22 infection of rice leaf sheeth assessed as inhibition of appressorial penetration into adaxial epidermal cells at 0.03 ppm after 7 days by pot test relative to control Magnaporthe grisea 75.0 %
Inhibition of dark brown pigmentation formation in appressorium cells of Magnaporthe oryzae at > 0.1 ppm after 24 hr Magnaporthe oryzae None
Inhibition of appressorium formation in Magnaporthe oryzae up to 40 ppm after 24 hr Magnaporthe oryzae None
Inhibition of spore germination in Magnaporthe oryzae up to 40 ppm after 24 hr Magnaporthe oryzae None
Antibacterial activity against Xanthomonas campestris pv. oryzae assessed as colony color change after 2 days Xanthomonas campestris pv. oryzae None
Antibacterial activity against Pectobacterium carotovorum assessed as colony color change after 2 days Pectobacterium carotovorum None
Antibacterial activity against Pseudomonas lachrymans assessed as colony color change after 2 days Pseudomonas None
Antifungal activity against Magnaporthe oryzae assessed as colony color change after 2 to 7 days Magnaporthe oryzae None
Antifungal activity against Penicillium digitatum assessed as colony color change after 2 to 7 days Penicillium digitatum None
Antifungal activity against Fusarium oxysporum f. sp. lycopersici assessed as colony colour change after 2 to 7 days Fusarium oxysporum f. sp. lycopersici None
Antifungal activity against Magnaporthe salvinii assessed as colony color change after 2 to 7 days Magnaporthe salvinii None
Antifungal activity against Colletotrichum lagenaria assessed as colony color change after 2 to 7 days Colletotrichum lagenaria None
Antifungal activity against Botryotinia fuckeliana assessed as colony color change after 2 to 7 days Botryotinia fuckeliana None
Antifungal activity against Pythium sp. assessed as colony color change after 2 to 7 days Pythium None
Antifungal activity against Alternaria brassicicola assessed as colony color change after 2 to 7 days Alternaria brassicicola None
Antifungal activity against Phytophthora nicotianae var. parasitica assessed as colony color change after 2 to 7 days Phytophthora nicotianae var. parasitica None
Antifungal activity against Thanatephorus cucumeris assessed as colony color change after 2 to 7 days Thanatephorus cucumeris None
Antifungal activity against Verticillium dahliae assessed as colony color change after 2 to 7 days Verticillium dahliae None
Antifungal activity against Sclerotinia sclerotiorum assessed as colony color change after 2 to 7 days Sclerotinia sclerotiorum None
Antifungal activity against Valsa ceratosperma assessed as colony color change after 2 to 7 days Valsa ceratosperma None
Antifungal activity against Diaphorina citri assessed as colony color change after 2 to 7 days Diaphorina citri None
Antifungal activity against Fusarium fujikuroi assessed as colony color change after 2 to 7 days Fusarium fujikuroi None
Antifungal activity against Bipolaris oryzae assessed as colony color change after 2 to 7 days Bipolaris oryzae None
Antifungal activity against Botryosphaeria berengeriana f.sp. pyricola assessed as colony color change after 2 to 7 days Botryosphaeria berengeriana f.sp. pyricola None
Antibacterial activity against Xanthomonas campestris pv. oryzae assessed as growth inhibition after 2 days Xanthomonas campestris pv. oryzae 200.0 ppm
Antibacterial activity against Pectobacterium carotovorum assessed as growth inhibition after 2 days Pectobacterium carotovorum 200.0 ppm
Antibacterial activity against Pseudomonas lachrymans assessed as growth inhibition after 2 days Pseudomonas 200.0 ppm
Antifungal activity against Magnaporthe oryzae assessed as growth inhibition after 2 to 7 days Magnaporthe oryzae 200.0 ppm
Antifungal activity against Penicillium digitatum assessed as growth inhibition after 2 to 7 days Penicillium digitatum 200.0 ppm
Antifungal activity against Magnaporthe salvinii assessed as growth inhibition after 2 to 7 days Magnaporthe salvinii 200.0 ppm
Antifungal activity against Botryotinia fuckeliana assessed as growth inhibition after 2 to 7 days Botryotinia fuckeliana 200.0 ppm
Antifungal activity against Colletotrichum lagenaria assessed as growth inhibition after 2 to 7 days Colletotrichum lagenaria 200.0 ppm
Antifungal activity against Fusarium oxysporum f. sp. lycopersici assessed as growth inhibition after 2 to 7 days Fusarium oxysporum f. sp. lycopersici 200.0 ppm
Antifungal activity against Alternaria brassicicola assessed as growth inhibition after 2 to 7 days Alternaria brassicicola 200.0 ppm
Antifungal activity against Pythium sp. assessed as growth inhibition after 2 to 7 days Pythium 200.0 ppm
Antifungal activity against Phytophthora nicotianae var. parasitica assessed as growth inhibition after 2 to 7 days Phytophthora nicotianae var. parasitica 50.0 ppm
Antifungal activity against Verticillium dahliae assessed as growth inhibition after 2 to 7 days Verticillium dahliae 200.0 ppm
Antifungal activity against Thanatephorus cucumeris assessed as growth inhibition after 2 to 7 days Thanatephorus cucumeris 200.0 ppm
Antifungal activity against Valsa ceratosperma assessed as growth inhibition after 2 to 7 days Valsa ceratosperma 200.0 ppm
Antifungal activity against Sclerotinia sclerotiorum assessed as growth inhibition after 2 to 7 days Sclerotinia sclerotiorum 200.0 ppm
Antifungal activity against Fusarium fujikuroi assessed as growth inhibition after 2 to 7 days Fusarium fujikuroi 200.0 ppm
Antifungal activity against Diaphorina citri assessed as growth inhibition after 2 to 7 days Diaphorina citri 200.0 ppm
Antifungal activity against Bipolaris oryzae assessed as growth inhibition after 2 to 7 days Bipolaris oryzae 200.0 ppm
Antifungal activity against Botryosphaeria berengeriana f.sp. pyricola assessed as growth inhibition after 2 to 7 days Botryosphaeria berengeriana f.sp. pyricola 200.0 ppm
Fungicidal activity against Magnaporthe oryzae assessed as melanin synthesis inhibition Magnaporthe oryzae None
Fungicidal activity against Magnaporthe oryzae in 7 days old young rice seedlings compound sprayed 1 day after inoculation assessed as efficacy against blast disease measured as lesion level at 50 ppm measured after 7 days of inoculation Magnaporthe oryzae 0.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2286105
FDA SRS 2P9U30AT11
PubChem 14074788
SureChEMBL SCHEMBL344100
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