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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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4 results for Pattern / motif query
Pattern / motif 4 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: dihydrobenzofuran Dihydrobenzofuran
ID 690 DB Docking_panel_21
2D structure

KB_chagas_182

ID 690

CC[N@@H+](C)Cc1ccc(N2CCC(NS(=O)(=O)c3ccc4c(c3)CCO4)CC2)nc1

Formula: C22H31N4O3S+

MW: 431.58 | LogP: 1.00

TPSA: 75.97

Patterns:

Dihydrobenzofuran
Detail
ID 2011 DB Docking_panel_21
2D structure

MK6

ID 2011

Cc1c(C)c2c(c3c1O[C@H](c1ccc(O)c(O)c1)C3)CCC(C)(C)O2

Formula: C21H24O4

MW: 340.42 | LogP: 4.49

TPSA: 58.92

Patterns:

Dihydrobenzofuran
Detail
ID 2807 DB Docking_panel_21
2D structure

Z754926486

ID 2807

CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=[NH+]C3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O

Formula: C46H63N4O11+

MW: 848.03 | LogP: 2.70

TPSA: 207.16

Patterns:

Dihydrobenzofuran
Detail
ID 3455 DB Docking_panel_21
2D structure

Z754926486

ID 3455

CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)/c(c5c(c4c3C2=O)N[C@]2(CC[N@@H+](CC(C)C)CC2)[NH+]=5)=N/C(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C

Formula: C46H64N4O11+2

MW: 849.03 | LogP: 1.41

TPSA: 211.85

Patterns:

Dihydrobenzofuran
Detail