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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 144 Samples 0
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4 results for Pattern / motif query
Pattern / motif 4 results DB demo
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Query interpretation
Pattern registry Vnos: isoindole Isoindole
ID 703 DB demo
2D structure

OHD_Leishmania_257

ID 703

C[NH2+]CCNC(=O)CN1C(=O)Cc2c([nH]c3ccc(Cl)cc23)-c2ccc(Cl)cc21

Formula: C21H21Cl2N4O2+

MW: 432.33 | LogP: 2.34

TPSA: 81.81

Patterns:

Isoindole
Detail
ID 1519 DB demo
2D structure

Z27167190

ID 1519

O/C(Cc1c[nH]c2ccccc12)=N\c1nnc(C2CC2)s1

Formula: C15H14N4OS

MW: 298.37 | LogP: 3.73

TPSA: 74.16

Patterns:

Isoindole
Detail
ID 3627 DB demo
2D structure

OHD_Leishmania_324

ID 3627

N#Cc1c(/N=C/c2cc3cc(Br)ccc3[nH]2)sc2c1CCCCCC2

Formula: C20H18BrN3S

MW: 412.36 | LogP: 6.27

TPSA: 51.94

Patterns:

Isoindole
Detail
ID 3843 DB demo
2D structure

KB_chagas_219

ID 3843

FC(F)(F)c1cc([C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)nc2ncnn12

Formula: C20H20F3N6+

MW: 401.42 | LogP: 2.59

TPSA: 63.31

Patterns:

Isoindole
Detail