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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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1 results for Pattern / motif query
Pattern / motif 1 results DB fairmol
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Pattern registry Vnos: thiomorpholine Thiomorpholine
ID 540 DB fairmol
2D structure

OHD_MAC_26

ID 540

Clc1cccc(/C=N/Nc2ncnc3c(Nc4cccc(OCC[NH+]5CCSCC5)c4)ncnc23)c1

Formula: C25H26ClN8OS+

MW: 522.06 | LogP: 3.27

TPSA: 101.65

Patterns:

Thiomorpholine
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