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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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Pattern registry Vnos: tetrahydroisoquinoline Tetrahydroisoquinoline
ID 2254 DB fairmol
2D structure

Z1521553711

ID 2254

Oc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1

Formula: C16H16ClNO3

MW: 305.76 | LogP: 2.73

TPSA: 72.72

Patterns:

Tetrahydroisoquinoline
Detail
ID 4156 DB fairmol
2D structure

Z1521553711

ID 4156

Oc1ccc([C@@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1

Formula: C16H16ClNO3

MW: 305.76 | LogP: 2.73

TPSA: 72.72

Patterns:

Tetrahydroisoquinoline
Detail
ID 4219 DB fairmol
2D structure

KB_chagas_211

ID 4219

CN(C(=O)Nc1ccc2c(c1)CC[N@H+](C1CCC1)CC2)c1ccc(C#N)cc1

Formula: C23H27N4O+

MW: 375.50 | LogP: 2.76

TPSA: 60.57

Patterns:

Tetrahydroisoquinoline
Detail