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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 144 Samples 0
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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: retro_amide Retro-amide
ID 703 DB demo
2D structure

OHD_Leishmania_257

ID 703

C[NH2+]CCNC(=O)CN1C(=O)Cc2c([nH]c3ccc(Cl)cc23)-c2ccc(Cl)cc21

Formula: C21H21Cl2N4O2+

MW: 432.33 | LogP: 2.34

TPSA: 81.81

Patterns:

Retro-amide
Detail
ID 1350 DB demo
2D structure

KB_HAT_98

ID 1350

Cc1cc2nc(N3CC[C@H]3C(N)=O)nc(Nc3cc(C4CC4)[nH]n3)c2s1

Formula: C17H19N7OS

MW: 369.45 | LogP: 2.41

TPSA: 112.82

Patterns:

Retro-amide
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:

Retro-amide
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:

Retro-amide
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:

Retro-amide
Detail
ID 5240 DB demo
2D structure

ulfkktlib_3457

ID 5240

O=C(NCCCO)[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2)C(=O)N1

Formula: C14H19N3O5S

MW: 341.39 | LogP: -1.28

TPSA: 124.60

Patterns:

Retro-amide
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:

Retro-amide
Detail