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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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2 results for Pattern / motif query
Pattern / motif 2 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: alpha_haloketone α-Haloketone
ID 953 DB Docking_panel_21
2D structure

ulfkktlib_1065

ID 953

COC(=O)[C@H](CC(=O)c1cnc2ncccn12)NC(=O)C(F)(F)F

Formula: C13H11F3N4O4

MW: 344.25 | LogP: 0.52

TPSA: 102.66

Patterns:

α-Haloketone
Detail
ID 1428 DB Docking_panel_21
2D structure

ulfkktlib_1062

ID 1428

COC(=O)[C@H](C/C=N/Nc1nnc(Cl)c2ccccc12)NC(=O)C(F)(F)F

Formula: C15H13ClF3N5O3

MW: 403.75 | LogP: 2.29

TPSA: 105.57

Patterns:

α-Haloketone
Detail