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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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Query interpretation
Pattern registry Vnos: aza_michael Aza-Michael acceptor
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:

Aza-Michael acceptor
Detail
ID 2118 DB demo
2D structure

ulfkktlib_2881

ID 2118

NN/C(O)=C(\C(=O)c1ccccc1)c1ccc2ccccc2n1

Formula: C18H15N3O2

MW: 305.34 | LogP: 2.81

TPSA: 88.24

Patterns:

Aza-Michael acceptor
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:

Aza-Michael acceptor
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:

Aza-Michael acceptor
Detail
ID 4898 DB demo
2D structure

ulfkktlib_3698

ID 4898

CN(C)/C=C/C(=O)c1ccc(C(=O)/C=C/Nc2ccc(/N=C\C=C(/O)c3ccc(C(=O)/C=C/N(C)C)cc3)cc2)cc1

Formula: C34H34N4O4

MW: 562.67 | LogP: 6.31

TPSA: 102.31

Patterns:

Aza-Michael acceptor
Detail
ID 5071 DB demo
2D structure

ulfkktlib_2994

ID 5071

CC1(C)N=NC2=C(N/C=C/c3ccccc3)NN3C(c4ccccc4)=NSC3=C21

Formula: C22H20N6S

MW: 400.51 | LogP: 4.80

TPSA: 64.38

Patterns:

Aza-Michael acceptor
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:

Aza-Michael acceptor
Detail