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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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5 results for Pattern / motif query
Pattern / motif 5 results DB fairmol
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Pattern registry Vnos: peroxide Peroxide
ID 2079 DB fairmol
2D structure

OHD_Schistosoma_116

ID 2079

O=C(O)CNCc1ccc([C@H]2CC[C@]3(CC2)OO[C@]2(O3)[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)cc1

Formula: C25H33NO5

MW: 427.54 | LogP: 4.35

TPSA: 77.02

Patterns:

Peroxide
Detail
ID 2612 DB fairmol
2D structure

ulfkktlib_1129

ID 2612

COOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)N/C(O)=C/C=N\c1nc(C)cc(Cl)n1

Formula: C27H28ClN5O5

MW: 538.00 | LogP: 3.57

TPSA: 135.03

Patterns:

Peroxide
Detail
ID 3136 DB fairmol
2D structure

OHD_Schistosoma_116

ID 3136

O=C(O)C[NH2+]Cc1ccc([C@H]2CC[C@]3(CC2)OO[C@]2(O3)[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)cc1

Formula: C25H34NO5+

MW: 428.55 | LogP: 3.32

TPSA: 81.60

Patterns:

Peroxide
Detail
ID 3147 DB fairmol
2D structure

OHD_Schistosoma_115

ID 3147

O=C(O)CNC(=O)COc1ccc([C@H]2CC[C@]3(CC2)OO[C@]2(O3)[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)cc1

Formula: C26H33NO7

MW: 471.55 | LogP: 3.75

TPSA: 103.32

Patterns:

Peroxide
Detail
ID 3777 DB fairmol
2D structure

OHD_Schistosoma_118

ID 3777

O=C(O)C[N@H+]1CC[C@@H](Oc2ccc([C@H]3CC[C@]4(CC3)OO[C@]3(O4)[C@@H]4C[C@H]5C[C@@H](C4)C[C@@H]3C5)cc2)CC1

Formula: C29H40NO6+

MW: 498.64 | LogP: 3.68

TPSA: 78.66

Patterns:

Peroxide
Detail