Compounds

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.

Open analysis

Compounds 5571 Samples 0

Search Workspace

Chemical search

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

Regex Pattern / motif 91 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

91 results for Pattern / motif query

Cards

Pattern / motif 91 results DB fairmol

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 45 DB fairmol

Z31183768

ID 45

Cc1noc(C)c1CSc1nc2ccccc2[nH]/c1=N\S(=O)(=O)c1ccc(Cl)cc1

Formula: C20H17ClN4O3S2

MW: 460.97 | LogP: 4.40

TPSA: 101.21

Patterns:

Isoxazole

Detail

Select ID 122 DB fairmol

Z16379965

ID 122

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

Formula: C18H14N4O2S2

MW: 382.47 | LogP: 4.39

TPSA: 80.91

Patterns:

Isoxazole

Detail

Select ID 144 DB fairmol

OHD_TB2023_36

ID 144

COc1cc2/c(=[NH+]\[C@H](C)c3cccc[nH+]3)c(C(=O)NCCCCCC[NH3+])c[nH]c2cc1-c1c(C)noc1C

Formula: C29H39N6O3+3

MW: 519.67 | LogP: 1.54

TPSA: 135.90

Patterns:

Isoxazole

Detail

Select ID 206 DB fairmol

Z32661458

ID 206

Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1S(=O)(=O)Nc1ccccc1Cl

Formula: C26H24ClN3O5S

MW: 526.01 | LogP: 5.89

TPSA: 110.53

Patterns:

Isoxazole

Detail

Select ID 281 DB fairmol

MK153

ID 281

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 369 DB fairmol

TC419

ID 369

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

Formula: C33H38N2O6

MW: 558.68 | LogP: 6.18

TPSA: 97.42

Patterns:

Isoxazole

Detail

Select ID 446 DB fairmol

MK211

ID 446

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 477 DB fairmol

TC391

ID 477

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

Formula: C23H25NO5S

MW: 427.52 | LogP: 4.90

TPSA: 95.95

Patterns:

Isoxazole

Detail

Select ID 699 DB fairmol

Z112483722

ID 699

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 743 DB fairmol

TC431

ID 743

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 787 DB fairmol

TC321

ID 787

Cc1cc(C)c2c(c1C)O[C@](C)(COCc1cc(CCc3ccc(O)c(O)c3)no1)CN2Cc1ccccc1

Formula: C32H36N2O5

MW: 528.65 | LogP: 6.17

TPSA: 88.19

Patterns:

Isoxazole

Detail

Select ID 795 DB fairmol

MK158

ID 795

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 831 DB fairmol

KB_chagas_183

ID 831

CC(C)c1cc(C(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)on1

Formula: C19H22N4O2

MW: 338.41 | LogP: 3.69

TPSA: 75.02

Patterns:

Isoxazole

Detail

Select ID 850 DB fairmol

MK154

ID 850

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 972 DB fairmol

KB_Leish_110

ID 972

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

Formula: C19H17N5O3S

MW: 395.44 | LogP: 3.82

TPSA: 110.01

Patterns:

Isoxazole

Detail

Select ID 1038 DB fairmol

TC419

ID 1038

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 1329 DB fairmol

MK138

ID 1329

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COCc1cc(-c3ccc(F)cc3)no1)O2

Formula: C24H26FNO4

MW: 411.47 | LogP: 5.41

TPSA: 64.72

Patterns:

Isoxazole

Detail

Select ID 1334 DB fairmol

MK136

ID 1334

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COCc1cc(-c3ccc(O)cc3)no1)O2

Formula: C24H27NO5

MW: 409.48 | LogP: 4.98

TPSA: 84.95

Patterns:

Isoxazole

Detail

Select ID 1364 DB fairmol

Z16286645

ID 1364

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 1367 DB fairmol

TC432

ID 1367

COc1ccc(CCc2cc(COC[C@]3(C)C[N@@H+](Cc4ccccc4)c4c(C)cc(C)c(C)c4O3)on2)cc1OC

Formula: C34H41N2O5+

MW: 557.71 | LogP: 5.49

TPSA: 67.39

Patterns:

Isoxazole

Detail

Page 1 / 5