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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: phenanthrene Phenanthrene
ID 2526 DB Docking_panel_21
2D structure

OHD_TB2021_49

ID 2526

CN1CCN(CCCN2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(CCC[NH+]2CCN(C)CC2)C6=O)CC1

Formula: C40H43N6O4+

MW: 671.82 | LogP: 2.79

TPSA: 88.92

Patterns:

Phenanthrene
Detail
ID 2533 DB Docking_panel_21
2D structure

OHD_TB2020_49

ID 2533

C[NH+]1CCN(CCCN2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(CCCN2CC[NH+](C)CC2)C6=O)CC1

Formula: C40H44N6O4+2

MW: 672.83 | LogP: 1.37

TPSA: 90.12

Patterns:

Phenanthrene
Detail