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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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4 results for Pattern / motif query
Pattern / motif 4 results DB demo
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Pattern registry Vnos: pyrazole Pyrazole
ID 388 DB demo
2D structure

KB_HAT_138

ID 388

CS(=O)(=O)c1ccc(Nc2nccc(Nc3n[nH]c4ccc(F)cc34)n2)c(F)c1

Formula: C18H14F2N6O2S

MW: 416.41 | LogP: 3.52

TPSA: 112.66

Patterns:

Pyrazole
Detail
ID 1350 DB demo
2D structure

KB_HAT_98

ID 1350

Cc1cc2nc(N3CC[C@H]3C(N)=O)nc(Nc3cc(C4CC4)[nH]n3)c2s1

Formula: C17H19N7OS

MW: 369.45 | LogP: 2.41

TPSA: 112.82

Patterns:

Pyrazole
Detail
ID 5180 DB demo
2D structure

KB_chagas_167

ID 5180

CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)c1

Formula: C19H22N5O2+

MW: 352.42 | LogP: 1.94

TPSA: 84.39

Patterns:

Pyrazole
Detail
ID 5358 DB demo
2D structure

TC107

ID 5358

COCCn1cc2c([nH+]1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2

Formula: C22H29N2O2+

MW: 353.49 | LogP: 3.22

TPSA: 48.53

Patterns:

Pyrazole
Detail