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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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Pattern registry Vnos: iodine Iodine
ID 1976 DB demo
2D structure

OHD_TB2021_16

ID 1976

Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O

Formula: C11H12FIN4O3

MW: 394.14 | LogP: 0.21

TPSA: 106.42

Patterns:

Iodine
Detail
ID 3036 DB demo
2D structure

KB_chagas_54

ID 3036

O=c1cc(NCCCN[C@H]2CCOc3c(I)cc(Cl)cc32)[nH]c2ccccc12

Formula: C21H21ClIN3O2

MW: 509.78 | LogP: 4.70

TPSA: 66.15

Patterns:

Iodine
Detail