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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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Pattern registry Vnos: sulfoxide Sulfoxide
ID 926 DB Docking_panel_21
2D structure

Z1501475006

ID 926

COc1ccc2nc([S@](=O)Cc3[nH+]cc(C)c(OC)c3C)[nH]c2c1

Formula: C17H20N3O3S+

MW: 346.43 | LogP: 2.32

TPSA: 78.35

Patterns:

Sulfoxide
Detail
ID 3542 DB Docking_panel_21
2D structure

Z1501475006

ID 3542

COc1ccc2[nH]c([S@@](=O)Cc3[nH+]cc(C)c(OC)c3C)nc2c1

Formula: C17H20N3O3S+

MW: 346.43 | LogP: 2.32

TPSA: 78.35

Patterns:

Sulfoxide
Detail