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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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3 results for Pattern / motif query
Pattern / motif 3 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: anhydride Anhydride
ID 643 DB Docking_panel_21
2D structure

ulfkktlib_926

ID 643

O=C(N[C@H]1C(=O)N2[C@@H]3C(=O)OC(=O)[C@@H]3[C@@H](c3ccccc3)N2[C@@H]1c1ccccc1)c1ccccc1

Formula: C27H21N3O5

MW: 467.48 | LogP: 2.41

TPSA: 96.02

Patterns:

Anhydride
Detail
ID 1373 DB Docking_panel_21
2D structure

OHD_DCM_46

ID 1373

O=C1OC(=O)c2ccc(N3CC[NH2+]CC3)c3cccc1c23

Formula: C16H15N2O3+

MW: 283.31 | LogP: 0.53

TPSA: 63.22

Patterns:

Anhydride
Detail
ID 2795 DB Docking_panel_21
2D structure

ulfkktlib_671

ID 2795

O=C(N[C@H]1C(=O)N2[C@H](C(=O)OC(=O)c3ccccc3)C[C@@H](c3ccccc3)N2[C@H]1c1ccccc1)c1ccccc1

Formula: C33H27N3O5

MW: 545.60 | LogP: 4.48

TPSA: 96.02

Patterns:

Anhydride
Detail