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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: phenothiazine Phenothiazine
ID 1636 DB Docking_panel_21
2D structure

Z1530532754

ID 1636

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1

Formula: C21H26ClN3OS

MW: 403.98 | LogP: 3.94

TPSA: 29.95

Patterns:

Phenothiazine
Detail
ID 1847 DB Docking_panel_21
2D structure

OHD_Leishmania_82

ID 1847

c1ccc2c(c1)Sc1ccccc1N2C[C@H]1C[N@H+]2CC[C@@H]1CC2

Formula: C20H23N2S+

MW: 323.49 | LogP: 3.21

TPSA: 7.68

Patterns:

Phenothiazine
Detail
ID 3091 DB Docking_panel_21
2D structure

Z18770259

ID 3091

Cc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc32)cc1

Formula: C21H17NOS2

MW: 363.51 | LogP: 5.92

TPSA: 20.31

Patterns:

Phenothiazine
Detail
ID 3149 DB Docking_panel_21
2D structure

Z51312390

ID 3149

COc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc32)cc1

Formula: C21H17NO2S2

MW: 379.51 | LogP: 5.62

TPSA: 29.54

Patterns:

Phenothiazine
Detail