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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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3 results for Pattern / motif query
Pattern / motif 3 results DB fairmol
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Pattern registry Vnos: salicylate Salicylate
ID 1451 DB fairmol
2D structure

Z1521554012

ID 1451

O=C(O)c1cc(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O

Formula: C18H14N4O5S

MW: 398.40 | LogP: 3.70

TPSA: 141.31

Patterns:

Salicylate
Detail
ID 3795 DB fairmol
2D structure

Z1521554012

ID 3795

O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O

Formula: C18H14N4O5S

MW: 398.40 | LogP: 3.70

TPSA: 141.31

Patterns:

Salicylate
Detail
ID 4470 DB fairmol
2D structure

Z1443924440

ID 4470

CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F

Formula: C29H27F5N2O6S

MW: 626.60 | LogP: 5.69

TPSA: 115.22

Patterns:

Salicylate
Detail