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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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5 results for Pattern / motif query
Pattern / motif 5 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: thiol Thiol
ID 870 DB Docking_panel_21
2D structure

NMT-TY0180

ID 870

NC1=N[C@@H](S)[C@@H](N)C(=O)/C1=N\C(=O)c1ccccc1

Formula: C12H12N4O2S

MW: 276.32 | LogP: -0.21

TPSA: 110.90

Patterns:

Thiol
Detail
ID 1064 DB Docking_panel_21
2D structure

ulfkktlib_3177

ID 1064

S=c1[nH]nc(S)c2c1nnn2-c1ccccc1

Formula: C10H7N5S2

MW: 261.33 | LogP: 2.16

TPSA: 59.39

Patterns:

Thiol
Detail
ID 1398 DB Docking_panel_21
2D structure

Z56950493

ID 1398

COc1ccccc1-c1[nH+]nc(S)n1-c1ccccc1

Formula: C15H14N3OS+

MW: 284.36 | LogP: 2.65

TPSA: 41.19

Patterns:

Thiol
Detail
ID 1949 DB Docking_panel_21
2D structure

MK70

ID 1949

COc1ccc(-c2cnnn2CCCCC[C@H](S)CCS)cc1OC

Formula: C18H27N3O2S2

MW: 381.57 | LogP: 4.14

TPSA: 49.17

Patterns:

Thiol
Detail
ID 2390 DB Docking_panel_21
2D structure

ulfkktlib_3513

ID 2390

Nn1c(S)ccc1-c1ccncc1

Formula: C9H9N3S

MW: 191.26 | LogP: 1.55

TPSA: 43.84

Patterns:

Thiol
Detail