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 137 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

137 results for Pattern / motif query

Cards

Pattern / motif 137 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: furan Furan

Select ID 8 DB Docking_panel_21

Z56900576

ID 8

C=CC/[NH+]=c1/scc(-c2ccco2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H16N3O4S+

MW: 358.40 | LogP: 0.98

TPSA: 105.09

Patterns:

Furan

Detail

Select ID 9 DB Docking_panel_21

Z82167273

ID 9

O=C(CSc1ncnc2c1oc1ccccc12)NC1CCCCC1

Formula: C18H19N3O2S

MW: 341.44 | LogP: 3.92

TPSA: 68.02

Patterns:

Furan

Detail

Select ID 10 DB Docking_panel_21

OHD_ACDS_37

ID 10

Brc1ccc2c(C(CNCc3ccco3)c3c[nH]c4cc(Br)ccc34)c[nH]c2c1

Formula: C23H19Br2N3O

MW: 513.23 | LogP: 6.69

TPSA: 56.75

Patterns:

Furan

Detail

Select ID 34 DB Docking_panel_21

Z215393742

ID 34

c1ccc2[nH]c(CSc3ncnc4c3oc3ccccc34)nc2c1

Formula: C18H12N4OS

MW: 332.39 | LogP: 4.54

TPSA: 67.60

Patterns:

Furan

Detail

Select ID 36 DB Docking_panel_21

Z56905026

ID 36

COCC/[NH+]=c1/scc(-c2ccco2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O5S+

MW: 376.41 | LogP: 0.44

TPSA: 114.32

Patterns:

Furan

Detail

Select ID 44 DB Docking_panel_21

Z82167147

ID 44

Cc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1

Formula: C19H15N3O2S

MW: 349.42 | LogP: 4.42

TPSA: 68.02

Patterns:

Furan

Detail

Select ID 62 DB Docking_panel_21

Z56960380

ID 62

S=c1[nH]nc(-c2ccccn2)n1/N=C/c1ccc(-c2ccccc2Br)o1

Formula: C18H12BrN5OS

MW: 426.30 | LogP: 4.91

TPSA: 72.00

Patterns:

Furan

Detail

Select ID 65 DB Docking_panel_21

OHD_ACDS_44

ID 65

O=C(NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12)c1ccco1

Formula: C23H17Br2N3O2

MW: 527.22 | LogP: 6.33

TPSA: 73.82

Patterns:

Furan

Detail

Select ID 67 DB Docking_panel_21

Z275595534

ID 67

O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1)c1cc(-c2ccco2)nc2ccccc12

Formula: C26H24N4O4S

MW: 488.57 | LogP: 5.00

TPSA: 113.66

Patterns:

Furan

Detail

Select ID 75 DB Docking_panel_21

Z82167118

ID 75

O=C(CSc1ncnc2c1oc1ccccc12)N1CCCc2ccccc21

Formula: C21H17N3O2S

MW: 375.45 | LogP: 4.45

TPSA: 59.23

Patterns:

Furan

Detail

Select ID 78 DB Docking_panel_21

KB_chagas_34

ID 78

O=c1ccc2ccc(F)c3c2n1C[C@H]3C[N@H+]1CC[C@@H](NCc2cc3ccccc3o2)CC1

Formula: C26H27FN3O2+

MW: 432.52 | LogP: 2.82

TPSA: 51.61

Patterns:

Furan

Detail

Select ID 178 DB Docking_panel_21

Z25276890

ID 178

O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cc(=O)n2c(n1)sc1ccccc12

Formula: C24H18N2O4S

MW: 430.49 | LogP: 4.43

TPSA: 73.81

Patterns:

Furan

Detail

Select ID 206 DB Docking_panel_21

OHD_TC1_138

ID 206

O=C(/C=C/c1ccc(OCCCCCOc2cccc3cccnc23)cc1)c1ccco1

Formula: C27H25NO4

MW: 427.50 | LogP: 6.35

TPSA: 61.56

Patterns:

Furan

Detail

Select ID 280 DB Docking_panel_21

Z18798950

ID 280

O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc2c(c1)OCO2

Formula: C24H18N2O6

MW: 430.42 | LogP: 3.70

TPSA: 99.89

Patterns:

Furan

Detail

Select ID 405 DB Docking_panel_21

Z31294274

ID 405

Cc1occc1C(=O)NN/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21

Formula: C22H16ClN3O4

MW: 421.84 | LogP: 3.70

TPSA: 91.65

Patterns:

Furan

Detail

Select ID 468 DB Docking_panel_21

Z1213668957

ID 468

O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccco1

Formula: C22H16ClN3O3

MW: 405.84 | LogP: 4.77

TPSA: 82.36

Patterns:

Furan

Detail

Select ID 471 DB Docking_panel_21

OHD_ACDS_37

ID 471

Brc1ccc2c(C(C[NH2+]Cc3ccco3)c3c[nH]c4cc(Br)ccc34)c[nH]c2c1

Formula: C23H20Br2N3O+

MW: 514.24 | LogP: 5.66

TPSA: 61.33

Patterns:

Furan

Detail

Select ID 575 DB Docking_panel_21

Z19503272

ID 575

CCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1

Formula: C17H18N6O4S

MW: 402.44 | LogP: 1.77

TPSA: 124.17

Patterns:

Furan

Detail

Select ID 595 DB Docking_panel_21

Z56903344

ID 595

N#Cc1c(NC(=O)CSc2ncnc3sccc23)oc(-c2ccco2)c1-c1ccco1

Formula: C21H12N4O4S2

MW: 448.49 | LogP: 5.41

TPSA: 118.09

Patterns:

Furan

Detail

Select ID 720 DB Docking_panel_21

Z16159973

ID 720

Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)cc1C

Formula: C25H24ClN3O6S

MW: 530.00 | LogP: 3.75

TPSA: 118.28

Patterns:

Furan

Detail

Page 1 / 7