Standard InChI: InChI=1S/C19H24N4O2/c1-6-9-20-18(24)16-17(22-14(5)13(4)21-16)19(25)23-15-10-11(2)7-8-12(15)3/h7-8,10H,6,9H2,1-5H3,(H,20,24)(H,23,25)
Standard InChI Key: PBZARTXRBDEVHZ-UHFFFAOYSA-N
Associated Targets(non-human)
Sagittaria pygmaea 155 Activities
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Cyperus serotinus 164 Activities
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Schoenoplectiella juncoides 1014 Activities
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Echinochloa crus-galli 3685 Activities
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Oryza sativa 2923 Activities
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Eleusine indica 140 Activities
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Lactuca sativa 1092 Activities
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Molecule Features
Natural Product: No
Oral: No
Chemical Probe: No
Parenteral: No
Molecule Type: Small molecule
Topical: No
First In Class: No
Black Box: No
Chirality: No
Availability: No
Prodrug: No
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Properties
Molecular Weight: 340.43
Molecular Weight (Monoisotopic): 340.1899
AlogP: 3.10
#Rotatable Bonds: 5
Polar Surface Area: 83.98
Molecular Species: NEUTRAL
HBA: 4
HBD: 2
#RO5 Violations: 0
HBA (Lipinski): 6
HBD (Lipinski): 2
#RO5 Violations (Lipinski): 0
CX Acidic pKa: 11.79
CX Basic pKa:
CX LogP: 2.64
CX LogD: 2.64
Aromatic Rings: 2
Heavy Atoms: 25
QED Weighted: 0.88
Np Likeness Score: -1.55
References
1.TSUDA T, TAMURA J, USDA H, ICHIMOTO I. (1992) Synthesis of Esters, Amides, N-Alkylamides and N, N-Dialkylamides of 2, 3-Dimethyl-5-(2, 5-disubstituted phenylaminocarbonyl)-6-pyrazinecarboxylic Acid and Their Phytotoxicity, 17 (4):[10.1584/jpestics.17.4_261]
