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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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Query interpretation
Pattern registry Vnos: dioxane Dioxane
ID 1759 DB Docking_panel_21
2D structure

Z56775559

ID 1759

C/C(=N/NC(=O)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(/C(O)=N/N=C(\C)c3ccncc3)cc2)cc1)c1ccncc1

Formula: C32H30N6O6

MW: 594.63 | LogP: 4.52

TPSA: 149.11

Patterns:

Dioxane
Detail
ID 2809 DB Docking_panel_21
2D structure

Z56775559

ID 2809

C/C(=N/NC(=O)c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C(\C)c3ccncc3)cc2)cc1)c1ccncc1

Formula: C32H30N6O6

MW: 594.63 | LogP: 3.94

TPSA: 145.62

Patterns:

Dioxane
Detail
ID 3451 DB Docking_panel_21
2D structure

Z56775559

ID 3451

C/C(=N/NC(=O)c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C(/C)c3ccncc3)cc2)cc1)c1ccncc1

Formula: C32H30N6O6

MW: 594.63 | LogP: 3.94

TPSA: 145.62

Patterns:

Dioxane
Detail