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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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Pattern registry Vnos: xanthene Xanthene
ID 749 DB Docking_panel_21
2D structure

TC268

ID 749

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)NCCOCCOCCNC(=S)Nc1ccc3c(c1)C(=O)OC31c3ccc(O)cc3Oc3cc(O)ccc31)[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CC[C@@]21O[C@@H]1CO

Formula: C50H58N4O12S

MW: 939.10 | LogP: 5.54

TPSA: 222.19

Patterns:

Xanthene
Detail
ID 2655 DB Docking_panel_21
2D structure

Z28597610

ID 2655

Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc32)sc1C

Formula: C19H16N2O2S

MW: 336.42 | LogP: 4.64

TPSA: 51.22

Patterns:

Xanthene
Detail
ID 2808 DB Docking_panel_21
2D structure

TC268

ID 2808

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)NCCOCCOCCNC(=S)Nc1ccc3c(c1)C(=O)OC31c3ccc(O)cc3Oc3cc(O)ccc31)[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21O[C@@H]1CO

Formula: C50H58N4O12S

MW: 939.10 | LogP: 5.54

TPSA: 222.19

Patterns:

Xanthene
Detail