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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: hydroxamic_acid Hydroxamic acid
ID 1865 DB Docking_panel_21
2D structure

OHD_Schistosoma_119

ID 1865

O=C(/C=C/c1ccccc1CSc1nc(Cc2ccccc2)cc(=O)[nH]1)NO

Formula: C21H19N3O3S

MW: 393.47 | LogP: 3.17

TPSA: 95.08

Patterns:

Hydroxamic acid
Detail
ID 3344 DB Docking_panel_21
2D structure

OHD_Schistosoma_108

ID 3344

CC(C)(C)OC(=O)Nc1cccc(C(=O)/C=C/c2ccc(C(=O)NO)cc2)c1

Formula: C21H22N2O5

MW: 382.42 | LogP: 4.05

TPSA: 104.73

Patterns:

Hydroxamic acid
Detail