Compounds

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.

Open analysis

Compounds 3586 Samples 0

Search Workspace

Chemical search

Build a query, refine the result set, and sketch a structure without leaving the page.

Regex Pattern / motif 44 results

Clear

Query

Treat text query as regular expression

Mode

Sort

Per page

Similarity threshold

Threshold 0.50

Properties

MW min

MW max

LogP min

LogP max

TPSA min

TPSA max

Property fields regex

Reset all

Results

44 results for Pattern / motif query

Cards

Pattern / motif 44 results DB Docking_panel_21

Selected 0 Select all on page Select all results

Global compound selection stays available across the browser. Save selected compounds into analysis sets A / B / C, then use union, intersection or negation in the Analysis selection workbench.

Query interpretation

Pattern registry Vnos: isoxazole Isoxazole

Select ID 15 DB Docking_panel_21

KB_chagas_183

ID 15

CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc4[nH+]cccc4[nH]3)C2)on1

Formula: C19H23N4O2+

MW: 339.42 | LogP: 3.11

TPSA: 76.27

Patterns:

Isoxazole

Detail

Select ID 39 DB Docking_panel_21

Z56175908

ID 39

Cc1cc(N[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1

Formula: C20H16ClN3O2

MW: 365.82 | LogP: 5.09

TPSA: 71.18

Patterns:

Isoxazole

Detail

Select ID 88 DB Docking_panel_21

MK154

ID 88

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(COCc1cc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C26H31NO6

MW: 453.54 | LogP: 4.80

TPSA: 105.18

Patterns:

Isoxazole

Detail

Select ID 131 DB Docking_panel_21

MK211

ID 131

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCc1cc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C27H33NO5

MW: 451.56 | LogP: 5.61

TPSA: 95.95

Patterns:

Isoxazole

Detail

Select ID 187 DB Docking_panel_21

Z16286645

ID 187

Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1

Formula: C23H21N3O6

MW: 435.44 | LogP: 3.01

TPSA: 110.97

Patterns:

Isoxazole

Detail

Select ID 214 DB Docking_panel_21

MK158

ID 214

COc1ccc(CCc2cc(COC[C@]3(C)CCc4c(C)c(OC)c(C)c(C)c4O3)on2)cc1OC

Formula: C29H37NO6

MW: 495.62 | LogP: 5.71

TPSA: 72.18

Patterns:

Isoxazole

Detail

Select ID 381 DB Docking_panel_21

TC431

ID 381

COc1ccc(CN2C[C@](C)(COCc3cc(CCc4ccc(OC)c(OC)c4)no3)Oc3c(C)c(C)cc(C)c32)cc1

Formula: C35H42N2O6

MW: 586.73 | LogP: 6.79

TPSA: 75.42

Patterns:

Isoxazole

Detail

Select ID 402 DB Docking_panel_21

TC419

ID 402

COc1ccc(C[N@@H+]2C[C@](C)(COCc3cc(CCc4ccc(O)c(O)c4)no3)Oc3c(C)c(C)cc(C)c32)cc1

Formula: C33H39N2O6+

MW: 559.68 | LogP: 4.89

TPSA: 98.62

Patterns:

Isoxazole

Detail

Select ID 505 DB Docking_panel_21

MK153

ID 505

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1cc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C24H27NO5

MW: 409.48 | LogP: 4.74

TPSA: 95.95

Patterns:

Isoxazole

Detail

Select ID 738 DB Docking_panel_21

TC321

ID 738

Cc1cc(C)c2c(c1C)O[C@](C)(COCc1cc(CCc3ccc(O)c(O)c3)no1)C[N@@H+]2Cc1ccccc1

Formula: C32H37N2O5+

MW: 529.66 | LogP: 4.88

TPSA: 89.39

Patterns:

Isoxazole

Detail

Select ID 883 DB Docking_panel_21

Z19316285

ID 883

Cc1cc(-n2c(C)cc(C(=O)CSc3ncnc4ccccc34)c2C)no1

Formula: C20H18N4O2S

MW: 378.46 | LogP: 4.31

TPSA: 73.81

Patterns:

Isoxazole

Detail

Select ID 928 DB Docking_panel_21

Z15971864

ID 928

Cc1ccc(Cn2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)cc1

Formula: C22H20N4O3S

MW: 420.49 | LogP: 3.78

TPSA: 90.02

Patterns:

Isoxazole

Detail

Select ID 1016 DB Docking_panel_21

Z1521553597

ID 1016

Cc1nc2n(c(=O)c1CC[N@H+]1CC[C@H](c3noc4cc(F)ccc43)CC1)CCC[C@H]2O

Formula: C23H28FN4O3+

MW: 427.50 | LogP: 1.66

TPSA: 85.59

Patterns:

Isoxazole

Detail

Select ID 1094 DB Docking_panel_21

Z20230911

ID 1094

Cc1nc(SCC(=O)Nc2cc(C)on2)c2c3c(sc2n1)CCCC3

Formula: C17H18N4O2S2

MW: 374.49 | LogP: 3.91

TPSA: 80.91

Patterns:

Isoxazole

Detail

Select ID 1122 DB Docking_panel_21

Z24623652

ID 1122

Cc1cc(NC(=O)COC(=O)c2oc3c(ccc4ccccc43)c2C)no1

Formula: C20H16N2O5

MW: 364.36 | LogP: 3.99

TPSA: 94.57

Patterns:

Isoxazole

Detail

Select ID 1137 DB Docking_panel_21

KB_chagas_218

ID 1137

COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1

Formula: C17H14ClFN2O4S

MW: 396.83 | LogP: 4.25

TPSA: 81.43

Patterns:

Isoxazole

Detail

Select ID 1139 DB Docking_panel_21

Z16379965

ID 1139

Cc1cc(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)no1

Formula: C18H14N4O2S2

MW: 382.47 | LogP: 4.39

TPSA: 80.91

Patterns:

Isoxazole

Detail

Select ID 1165 DB Docking_panel_21

Z112483722

ID 1165

Cc1cc(NC(=O)[C@@H](C)Sc2nc(-c3cccs3)nc3ccccc23)no1

Formula: C19H16N4O2S2

MW: 396.50 | LogP: 4.77

TPSA: 80.91

Patterns:

Isoxazole

Detail

Select ID 1430 DB Docking_panel_21

Z1521553597

ID 1430

Cc1nc2n(c(=O)c1CC[N@H+]1CC[C@@H](c3noc4cc(F)ccc43)CC1)CCC[C@@H]2O

Formula: C23H28FN4O3+

MW: 427.50 | LogP: 1.66

TPSA: 85.59

Patterns:

Isoxazole

Detail

Select ID 1474 DB Docking_panel_21

KB_Leish_110

ID 1474

Cc1ccc2onc(Nc3ccnc(Nc4cccc(S(C)(=O)=O)c4)n3)c2c1

Formula: C19H17N5O3S

MW: 395.44 | LogP: 3.82

TPSA: 110.01

Patterns:

Isoxazole

Detail

Page 1 / 3