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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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8 results for Pattern / motif query
Pattern / motif 8 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: morpholine Morpholine
ID 413 DB Docking_panel_21
2D structure

OHD_MAC_23

ID 413

Clc1cccc(/C=N/Nc2ncnc3c(Nc4cccc(OCC[NH+]5CCOCC5)c4)ncnc23)c1

Formula: C25H26ClN8O2+

MW: 505.99 | LogP: 2.56

TPSA: 110.88

Patterns:

Morpholine
Detail
ID 702 DB Docking_panel_21
2D structure

KB_Leish_41

ID 702

N#Cc1cc(-c2ccnc(Nc3cccc(C[NH+]4CCOCC4)c3)n2)ccc1NCC[NH3+]

Formula: C24H29N7O+2

MW: 431.54 | LogP: 0.83

TPSA: 114.94

Patterns:

Morpholine
Detail
ID 1708 DB Docking_panel_21
2D structure

OHD_MAC_24

ID 1708

Clc1ccc(/C=N/Nc2ncnc3c(Nc4cccc(OCC[NH+]5CCOCC5)c4)ncnc23)cc1

Formula: C25H26ClN8O2+

MW: 505.99 | LogP: 2.56

TPSA: 110.88

Patterns:

Morpholine
Detail
ID 2551 DB Docking_panel_21
2D structure

OSA_Lib_293

ID 2551

O=C1C[C@]2([NH+]3CCOCC3)C[C@@H](c3ccccc3)[C@H](N1)[C@H](c1ccccc1)C2

Formula: C24H29N2O2+

MW: 377.51 | LogP: 1.89

TPSA: 42.77

Patterns:

Morpholine
Detail
ID 2818 DB Docking_panel_21
2D structure

OSA_Lib_176

ID 2818

O=C1C[C@]2([NH+]3CCOCC3)C[C@H](c3ccccc3)[C@H](N1)[C@H](c1ccccc1)C2

Formula: C24H29N2O2+

MW: 377.51 | LogP: 1.89

TPSA: 42.77

Patterns:

Morpholine
Detail
ID 2892 DB Docking_panel_21
2D structure

OSA_Lib_176

ID 2892

O=C1C[C@@]2([NH+]3CCOCC3)C[C@H](c3ccccc3)[C@@H](N1)[C@H](c1ccccc1)C2

Formula: C24H29N2O2+

MW: 377.51 | LogP: 1.89

TPSA: 42.77

Patterns:

Morpholine
Detail
ID 3023 DB Docking_panel_21
2D structure

OHD_MAC_25

ID 3023

C(=N\Nc1ncnc2c(Nc3cccc(OCC[NH+]4CCOCC4)c3)ncnc12)/c1ccccc1

Formula: C25H27N8O2+

MW: 471.55 | LogP: 1.90

TPSA: 110.88

Patterns:

Morpholine
Detail
ID 3432 DB Docking_panel_21
2D structure

KB_HAT_54

ID 3432

N#Cc1cnc(Nc2cccc(CC[NH+]3CCOCC3)c2)nc1Nc1ccccc1C(N)=O

Formula: C24H26N7O2+

MW: 444.52 | LogP: 1.39

TPSA: 130.39

Patterns:

Morpholine
Detail