triforine

Identification (Source:EPA,EU)

ID 406
Name triforine
CAS 26644-46-2
IUPAC
Inchi InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)
CIPAC 360
EPA Code 107901
Formula C10H14Cl6N4O2
SMILES ClC(Cl)(Cl)C(N1CCN(C(NC=O)C(Cl)(Cl)Cl)CC1)NC=O
Status Not Approved

Classification

Mode of Action Systemic with protectant, eradicant and curative characteristics
Pesticide Type Fungicide
Chemical Group Piperazine
Classification amide fungicides

Properties (Source:PubChem)

Molecular Weight 434.96
Physical State White to brown crystals
AlogP 2.098
H-Bond Donor 2
H-Bond Acceptor 4
Surface Area 379.89
Polar Surface Area 64.68

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 380 mg l-1
Aquatic invertebrates Acute 48 hour EC50 25 mg l-1
Birds Acute LD50 5000 mg kg-1
Earthworms Acute 14 day LD50 1000 mg kg-1
Fish Acute 96 hour LC50 1000 mg l-1
Honeybees Acute 48 hour LD50 10 μg bee-1
Mammals Acute oral LD50 > 16000 mg kg-1
Mammals Short term dietary NOEL 200 ppm diet
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 1

Related targets

Target Name RScore (About this table)
demethylase 2(0,0,0,2) Details
Substance P 1(0,0,0,1) Details
motilin 1(0,0,0,1) Details
somatostatin 1(0,0,0,1) Details
glucagon 1(0,0,0,1) Details
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