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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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10 results for Pattern / motif query
Pattern / motif 10 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: benzothiophene Benzothiophene
ID 28 DB Docking_panel_21
2D structure

KB_chagas_164

ID 28

CN(Cc1cc2ccccc2s1)c1ncc2c(N)nc(N)nc2n1

Formula: C16H15N7S

MW: 337.41 | LogP: 2.44

TPSA: 106.84

Patterns:

Benzothiophene
Detail
ID 89 DB Docking_panel_21
2D structure

Z56789391

ID 89

O=C1C=C/C(=C(\O)N/N=C/c2sc3ccccc3c2O)C(O)=C1

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.88

TPSA: 102.15

Patterns:

Benzothiophene
Detail
ID 475 DB Docking_panel_21
2D structure

Z30858102

ID 475

NS(=O)(=O)c1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1

Formula: C17H15ClN2O3S2

MW: 394.91 | LogP: 3.17

TPSA: 89.26

Patterns:

Benzothiophene
Detail
ID 965 DB Docking_panel_21
2D structure

Z56789391

ID 965

O=C(N/N=C\c1sc2ccccc2c1O)c1ccc(O)cc1O

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.78

TPSA: 102.15

Patterns:

Benzothiophene
Detail
ID 1112 DB Docking_panel_21
2D structure

KB_chagas_164

ID 1112

CN(Cc1cc2ccccc2s1)c1ncc2c(N)[nH+]c(N)nc2n1

Formula: C16H16N7S+

MW: 338.42 | LogP: 1.85

TPSA: 108.09

Patterns:

Benzothiophene
Detail
ID 2302 DB Docking_panel_21
2D structure

Z56789391

ID 2302

O=C1C=C(O)C=C/C1=C(\O)N/N=C\c1sc2ccccc2c1O

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.88

TPSA: 102.15

Patterns:

Benzothiophene
Detail
ID 2364 DB Docking_panel_21
2D structure

Z56778237

ID 2364

O/C(COc1ccccc1)=N\N=C\c1sc2ccccc2c1O

Formula: C17H14N2O3S

MW: 326.38 | LogP: 3.98

TPSA: 74.41

Patterns:

Benzothiophene
Detail
ID 2547 DB Docking_panel_21
2D structure

Z56789391

ID 2547

O=C(N/N=C/c1sc2ccccc2c1O)c1ccc(O)cc1O

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.78

TPSA: 102.15

Patterns:

Benzothiophene
Detail
ID 2999 DB Docking_panel_21
2D structure

Z754931262

ID 2999

O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12

Formula: C28H27NO4S

MW: 473.59 | LogP: 6.08

TPSA: 70.00

Patterns:

Benzothiophene
Detail
ID 3117 DB Docking_panel_21
2D structure

KB_chagas_102

ID 3117

Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1sc2ccccc2c1Cl

Formula: C22H24ClN3O3S2

MW: 478.04 | LogP: 4.40

TPSA: 72.27

Patterns:

Benzothiophene
Detail