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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 144 Samples 0
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2 results for Pattern / motif query
Pattern / motif 2 results DB demo
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Query interpretation
Pattern registry Vnos: indazole Indazole
ID 388 DB demo
2D structure

KB_HAT_138

ID 388

CS(=O)(=O)c1ccc(Nc2nccc(Nc3n[nH]c4ccc(F)cc34)n2)c(F)c1

Formula: C18H14F2N6O2S

MW: 416.41 | LogP: 3.52

TPSA: 112.66

Patterns:

Indazole
Detail
ID 5180 DB demo
2D structure

KB_chagas_167

ID 5180

CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)c1

Formula: C19H22N5O2+

MW: 352.42 | LogP: 1.94

TPSA: 84.39

Patterns:

Indazole
Detail