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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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4 results for Pattern / motif query
Pattern / motif 4 results DB fairmol
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Pattern registry Vnos: oxepane Oxepane
ID 382 DB fairmol
2D structure

OHD_Leishmania_329

ID 382

CC1=C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1

Formula: C44H56O6Si

MW: 709.01 | LogP: 6.94

TPSA: 85.36

Patterns:

Oxepane
Detail
ID 3801 DB fairmol
2D structure

ulfkktlib_876

ID 3801

CC1(C)[C@H]2CC[C@]1(C)OC(=O)/C2=C\Nc1cc(N/C=C2\C(=O)O[C@@]3(C)CC[C@@H]2C3(C)C)c(N/N=C2\C(=O)O[C@@]3(C)CC[C@@H]2C3(C)C)cc1N/C=C1\C(=O)O[C@@]2(C)CC[C@@H]1C2(C)C

Formula: C49H65N5O8

MW: 852.09 | LogP: 9.35

TPSA: 165.68

Patterns:

Oxepane
Detail
ID 3855 DB fairmol
2D structure

ulfkktlib_286

ID 3855

COC(=O)[C@H](Cc1ccc(O)cc1)N/C=C1/C(=O)O[C@]2(C)CC[C@H]1C2(C)C

Formula: C21H27NO5

MW: 373.45 | LogP: 2.70

TPSA: 84.86

Patterns:

Oxepane
Detail
ID 5281 DB fairmol
2D structure

TC113

ID 5281

CC1(C)OC(=O)CC[C@]2(C)[C@@H](CC[C@@](C)(O)[C@@H]3CO3)[C@](C)(O)CC[C@@H]12

Formula: C20H34O5

MW: 354.49 | LogP: 2.82

TPSA: 79.29

Patterns:

Oxepane
Detail