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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: naphthyridine Naphthyridine
ID 1374 DB Docking_panel_21
2D structure

KB_chagas_173

ID 1374

Cc1ccc(C[NH2+]C2CCN(C[C@@H]3Cn4c(=O)ccc5ccc(=O)n3c54)CC2)cc1F

Formula: C24H28FN4O2+

MW: 423.51 | LogP: 1.39

TPSA: 63.85

Patterns:

Naphthyridine
Detail
ID 2499 DB Docking_panel_21
2D structure

KB_chagas_173

ID 2499

Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C[C@@H]3Cn4c(=O)ccc5ccc(=O)n3c54)CC2)cc1F

Formula: C24H29FN4O2+2

MW: 424.52 | LogP: -0.02

TPSA: 65.05

Patterns:

Naphthyridine
Detail