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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: chromane Chromane
ID 73 DB demo
2D structure

MK155

ID 73

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1nnc(CCc3ccc(O)c(O)c3)o1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

Chromane
Detail
ID 1262 DB demo
2D structure

MK29

ID 1262

Cc1c(C)c2c(c(CCc3ccc(O)c(O)c3)c1O)CCC(C)(C)O2

Formula: C21H26O4

MW: 342.44 | LogP: 4.31

TPSA: 69.92

Patterns:

Chromane
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:

Chromane
Detail
ID 3778 DB demo
2D structure

MK15

ID 3778

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCC[NH+]1CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC1)O2

Formula: C29H38N3O6+

MW: 524.64 | LogP: 1.37

TPSA: 123.77

Patterns:

Chromane
Detail