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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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Query interpretation
Pattern registry Vnos: thiadiazole_134 1,3,4-Thiadiazole
ID 874 DB fairmol
2D structure

KB_Leish_162

ID 874

O=C(C[NH+](Cc1ccccn1)Cc1ccccn1)NCc1ccc(-c2csnn2)cc1

Formula: C23H23N6OS+

MW: 431.55 | LogP: 1.90

TPSA: 85.10

Patterns:

1,3,4-Thiadiazole
Detail
ID 2024 DB fairmol
2D structure

Z56893259

ID 2024

Cc1nnsc1-c1nc2ccccc2[nH]1

Formula: C10H8N4S

MW: 216.27 | LogP: 2.39

TPSA: 54.46

Patterns:

1,3,4-Thiadiazole
Detail
ID 4924 DB fairmol
2D structure

KB_Leish_162

ID 4924

O=C(CN(Cc1ccccn1)Cc1ccccn1)NCc1ccc(-c2csnn2)cc1

Formula: C23H22N6OS

MW: 430.54 | LogP: 3.31

TPSA: 83.90

Patterns:

1,3,4-Thiadiazole
Detail