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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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3 results for Pattern / motif query
Pattern / motif 3 results DB Docking_panel_21
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Pattern registry Vnos: peroxide Peroxide
ID 2219 DB Docking_panel_21
2D structure

OHD_Schistosoma_117

ID 2219

O=C(O)COc1ccc([C@H]2CC[C@]3(CC2)OO[C@]2(O3)[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)cc1Cl

Formula: C24H29ClO6

MW: 448.94 | LogP: 5.29

TPSA: 74.22

Patterns:

Peroxide
Detail
ID 2231 DB Docking_panel_21
2D structure

OHD_Schistosoma_116

ID 2231

O=C(O)CNCc1ccc([C@H]2CC[C@]3(CC2)OO[C@]2(O3)[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)cc1

Formula: C25H33NO5

MW: 427.54 | LogP: 4.35

TPSA: 77.02

Patterns:

Peroxide
Detail
ID 2260 DB Docking_panel_21
2D structure

OHD_Leishmania_210

ID 2260

CCCCCCCCC(=O)OCc1ccc2c(c1)[C@@]1(c3ccncc3)OO[C@]2(c2ccncc2)c2ccccc21

Formula: C34H34N2O4

MW: 534.66 | LogP: 7.13

TPSA: 70.54

Patterns:

Peroxide
Detail