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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: hexahydropyrimidine Hexahydropyrimidine
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:

Hexahydropyrimidine
Detail
ID 4796 DB demo
2D structure

OSA_Lib_223

ID 4796

CN1CC[NH+]([C@]23C[C@H](NC(=O)CCN4CC[NH+](C)CC4)[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1

Formula: C33H49N5O+2

MW: 531.79 | LogP: 0.64

TPSA: 44.46

Patterns:

Hexahydropyrimidine
Detail
ID 5304 DB demo
2D structure

OHD_DCM_44

ID 5304

O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1c1ccc2c(c1)OCCOCCOCCOCCO2

Formula: C30H33N3O7

MW: 547.61 | LogP: 2.87

TPSA: 98.80

Patterns:

Hexahydropyrimidine
Detail