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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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5 results for Pattern / motif query
Pattern / motif 5 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: azo Azo
ID 1619 DB Docking_panel_21
2D structure

Z1521554012

ID 1619

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:

Azo
Detail
ID 2013 DB Docking_panel_21
2D structure

OHD_Leishmania_259

ID 2013

COc1cc(/N=N/CC(=O)c2ccc(O)cc2)ccc1O

Formula: C15H14N2O4

MW: 286.29 | LogP: 3.07

TPSA: 91.48

Patterns:

Azo
Detail
ID 3078 DB Docking_panel_21
2D structure

ulfkktlib_2994

ID 3078

CC1(C)N=NC2=C(N/C=C/c3ccccc3)NN3C(c4ccccc4)=NSC3=C21

Formula: C22H20N6S

MW: 400.51 | LogP: 4.80

TPSA: 64.38

Patterns:

Azo
Detail
ID 3194 DB Docking_panel_21
2D structure

Z1521554012

ID 3194

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:

Azo
Detail
ID 3220 DB Docking_panel_21
2D structure

Z56773008

ID 3220

Oc1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1

Formula: C21H16N4O

MW: 340.39 | LogP: 5.86

TPSA: 73.63

Patterns:

Azo
Detail