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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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Pattern registry Vnos: pyrazolidine Pyrazolidine
ID 2507 DB Docking_panel_21
2D structure

ulfkktlib_693

ID 2507

O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(O)cc2)[C@H]1c1ccccc1)c1ccccc1

Formula: C23H20N3O3+

MW: 386.43 | LogP: 2.41

TPSA: 81.44

Patterns:

Pyrazolidine
Detail
ID 2679 DB Docking_panel_21
2D structure

ulfkktlib_695

ID 2679

O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(O)cc2)[C@H]1c1ccccc1)c1ccccc1

Formula: C23H20N3O3+

MW: 386.43 | LogP: 2.41

TPSA: 81.44

Patterns:

Pyrazolidine
Detail
ID 2686 DB Docking_panel_21
2D structure

ulfkktlib_690

ID 2686

O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1ccccc1

Formula: C25H21N4O2+

MW: 409.47 | LogP: 3.18

TPSA: 77.00

Patterns:

Pyrazolidine
Detail
ID 3013 DB Docking_panel_21
2D structure

ulfkktlib_689

ID 3013

O=C(N[C@@H]1C(=O)N/[N+](=C\c2c(Cl)cccc2Cl)[C@H]1c1c[nH]c2ccccc12)c1ccccc1

Formula: C25H19Cl2N4O2+

MW: 478.36 | LogP: 4.49

TPSA: 77.00

Patterns:

Pyrazolidine
Detail