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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 144 Samples 0
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3 results for Pattern / motif query
Pattern / motif 3 results DB demo
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Pattern registry Vnos: lactone Lactone
ID 2202 DB demo
2D structure

Z19114457

ID 2202

CC(C)c1ccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)cc1

Formula: C15H17N3O2S2

MW: 335.45 | LogP: 3.81

TPSA: 64.11

Patterns:

Lactone
Detail
ID 3958 DB demo
2D structure

ulfkktlib_1132

ID 3958

CC1(C)OC(=O)C(C(=O)CNC(=O)CNC(=O)OCc2ccccc2)C(=O)O1

Formula: C18H20N2O8

MW: 392.36 | LogP: 0.05

TPSA: 137.10

Patterns:

Lactone
Detail
ID 4811 DB demo
2D structure

Z1501485359

ID 4811

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(C[NH+](C)C)c(O)ccc3nc2-1

Formula: C23H24N3O5+

MW: 422.46 | LogP: 0.43

TPSA: 106.09

Patterns:

Lactone
Detail