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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: cycloheptane Cycloheptane
ID 1543 DB Docking_panel_21
2D structure

Z18396243

ID 1543

O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)O)c1)NC1CCCCCC1

Formula: C23H24ClN2O6+

MW: 459.91 | LogP: 4.37

TPSA: 112.78

Patterns:

Cycloheptane
Detail
ID 2835 DB Docking_panel_21
2D structure

ulfkktlib_180

ID 2835

CCC[C@@H]1[NH2+][C@H](C(=O)NCCC2CCCCCC2)Cc2c1[nH]c1c2ccc2ccccc21

Formula: C28H38N3O+

MW: 432.63 | LogP: 5.13

TPSA: 61.50

Patterns:

Cycloheptane
Detail
ID 2845 DB Docking_panel_21
2D structure

ulfkktlib_191

ID 2845

O=C(NCCC1CCCCCC1)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccccc1

Formula: C27H36N3O+

MW: 418.61 | LogP: 4.32

TPSA: 61.50

Patterns:

Cycloheptane
Detail
ID 3093 DB Docking_panel_21
2D structure

ulfkktlib_162

ID 3093

O=C(NCCC1CCCCCC1)N(CCc1c[nH]c2ccccc12)Cc1ccccc1

Formula: C27H35N3O

MW: 417.60 | LogP: 6.28

TPSA: 48.13

Patterns:

Cycloheptane
Detail