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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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7 results for Pattern / motif query
Pattern / motif 7 results DB demo
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Pattern registry Vnos: acrylamide Acrylamide
ID 1807 DB demo
2D structure

Z56811592

ID 1807

CN(C)c1ccc(/C=C2\SC(=O)N(CCc3nnc(N)s3)C2=O)cc1

Formula: C16H17N5O2S2

MW: 375.48 | LogP: 2.47

TPSA: 92.42

Patterns:

Acrylamide
Detail
ID 1929 DB demo
2D structure

Z31287542

ID 1929

O=C1/C(=C\N/N=C(\O)[C@H]2COc3ccccc3O2)c2ccccc2C(=O)N1c1ccccc1Cl

Formula: C25H18ClN3O5

MW: 475.89 | LogP: 4.17

TPSA: 100.46

Patterns:

Acrylamide
Detail
ID 2323 DB demo
2D structure

ulfkktlib_901

ID 2323

O=C(CNC(=O)c1ccccc1)N/C=C1\SC(=S)NC1=O

Formula: C13H11N3O3S2

MW: 321.38 | LogP: 0.52

TPSA: 87.30

Patterns:

Acrylamide
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:

Acrylamide
Detail
ID 3926 DB demo
2D structure

ulfkktlib_2320

ID 3926

O=C(N[C@@H]1CN(/C=C2\C(=O)N[C@@H](Cc3ccccc3)C2=O)NC1=O)OCc1ccccc1

Formula: C23H22N4O5

MW: 434.45 | LogP: 0.82

TPSA: 116.84

Patterns:

Acrylamide
Detail
ID 4851 DB demo
2D structure

Z56824264

ID 4851

O=C(/C=C\c1ccccc1)Nc1ccc(O)cc1

Formula: C15H13NO2

MW: 239.27 | LogP: 3.04

TPSA: 49.33

Patterns:

Acrylamide
Detail
ID 5446 DB demo
2D structure

ulfkktlib_135

ID 5446

CCCCOC(=O)[C@@H]1C/C(=C\Nc2ccc(O)cc2)C(=O)N1C(=O)OC(C)(C)C

Formula: C21H28N2O6

MW: 404.46 | LogP: 3.57

TPSA: 105.17

Patterns:

Acrylamide
Detail