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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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7 results for Pattern / motif query
Pattern / motif 7 results DB fairmol
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Pattern registry Vnos: indazole Indazole
ID 80 DB fairmol
2D structure

OHD_Leishmania_89

ID 80

Clc1ccc(N2CCC(Nc3ccc4c(N5CCOCC5)n[nH]c4c3)CC2)nn1

Formula: C20H24ClN7O

MW: 413.91 | LogP: 2.92

TPSA: 82.20

Patterns:

Indazole
Detail
ID 147 DB fairmol
2D structure

OHD_Leishmania_87

ID 147

COc1ccccc1-c1n[nH]c2cc(NC3CCN(C(=O)CC4CC4)CC3)ccc12

Formula: C24H28N4O2

MW: 404.51 | LogP: 4.44

TPSA: 70.25

Patterns:

Indazole
Detail
ID 156 DB fairmol
2D structure

KB_Leish_114

ID 156

COc1ccc(Nc2nc(N(C)c3n[nH]c4c(F)cccc34)cc[nH+]2)cc1S(C)(=O)=O

Formula: C20H20FN6O3S+

MW: 443.48 | LogP: 2.83

TPSA: 114.35

Patterns:

Indazole
Detail
ID 355 DB fairmol
2D structure

OHD_Leishmania_86

ID 355

COc1ccccc1-c1n[nH]c2cc(NC3CCN(C(=O)Cc4ccc(F)cc4F)CC3)ccc12

Formula: C27H26F2N4O2

MW: 476.53 | LogP: 5.16

TPSA: 70.25

Patterns:

Indazole
Detail
ID 388 DB fairmol
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 894 DB fairmol
2D structure

KB_Leish_114

ID 894

COc1ccc(Nc2nccc(N(C)c3n[nH]c4c(F)cccc34)n2)cc1S(C)(=O)=O

Formula: C20H19FN6O3S

MW: 442.48 | LogP: 3.42

TPSA: 113.10

Patterns:

Indazole
Detail
ID 5180 DB fairmol
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