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 186 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

186 results for Pattern / motif query

Cards

Pattern / motif 186 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: imidazole Imidazole

Select ID 1 DB Docking_panel_21

Z53787229

ID 1

Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2[nH]1

Formula: C18H15N3OS

MW: 321.41 | LogP: 4.33

TPSA: 61.54

Patterns:

Imidazole

Detail

Select ID 5 DB Docking_panel_21

OHD_TB2020_34

ID 5

CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O

Formula: C20H19Cl2N5O2

MW: 432.31 | LogP: 3.90

TPSA: 77.73

Patterns:

Imidazole

Detail

Select ID 17 DB Docking_panel_21

OHD_TB2020_31

ID 17

O=c1n(Cc2nc3nc(Cl)ccc3[nH]2)cc(Cc2ccc(Cl)cc2Cl)n1CC(F)F

Formula: C19H14Cl3F2N5O

MW: 472.71 | LogP: 4.79

TPSA: 68.50

Patterns:

Imidazole

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:

Imidazole

Detail

Select ID 90 DB Docking_panel_21

MK179

ID 90

S=c1cc(-c2ccc(OCCN3CCN(c4ncnc5[nH]cnc45)CC3)cc2)ss1

Formula: C20H20N6OS3

MW: 456.62 | LogP: 4.07

TPSA: 70.17

Patterns:

Imidazole

Detail

Select ID 97 DB Docking_panel_21

KB_Leish_38

ID 97

C[N@@H+](Cc1nc2ccc(C(=O)NCC3CCCCC3)cc2[nH]1)[C@H]1CCCc2cccnc21

Formula: C26H34N5O+

MW: 432.59 | LogP: 3.36

TPSA: 75.11

Patterns:

Imidazole

Detail

Select ID 100 DB Docking_panel_21

Z16042352

ID 100

Nn1cc(-c2ccccc2)nc1SCc1cn2ccccc2[nH+]1

Formula: C17H16N5S+

MW: 322.42 | LogP: 2.62

TPSA: 62.39

Patterns:

Imidazole

Detail

Select ID 119 DB Docking_panel_21

Z56908735

ID 119

Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1cccc(Cl)c1

Formula: C23H18ClN5S

MW: 431.95 | LogP: 5.94

TPSA: 72.52

Patterns:

Imidazole

Detail

Select ID 120 DB Docking_panel_21

TC85

ID 120

Cn1cc(C[C@@H](O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c[nH+]2)c2ccccc21

Formula: C33H30N3O+

MW: 484.62 | LogP: 5.91

TPSA: 44.23

Patterns:

Imidazole

Detail

Select ID 138 DB Docking_panel_21

MK178

ID 138

NC(=S)c1ccc(OCCN2CCN(c3ncnc4[nH]cnc34)CC2)cc1

Formula: C18H21N7OS

MW: 383.48 | LogP: 1.19

TPSA: 96.19

Patterns:

Imidazole

Detail

Select ID 140 DB Docking_panel_21

Z56964630

ID 140

Clc1cccc(N/N=C(/Cc2nc3ccccc3[nH]2)c2ccccc2)c1

Formula: C21H17ClN4

MW: 360.85 | LogP: 5.28

TPSA: 53.07

Patterns:

Imidazole

Detail

Select ID 197 DB Docking_panel_21

OHD_TB2020_5

ID 197

COc1nc2ccccc2cc1-c1cnc([C@@H]2C[N@H+](C[C@H]3CCOC3)CCN2C(=O)n2c(C(F)(F)F)nc3ccccc32)[nH]1

Formula: C31H31F3N7O3+

MW: 606.63 | LogP: 3.95

TPSA: 102.60

Patterns:

Imidazole

Detail

Select ID 247 DB Docking_panel_21

OHD_Leishmania_440

ID 247

CCc1[nH+]cn(CC(c2c[nH]c3ccc(C)cc23)c2c[nH]c3ccc(C)cc23)c1C(=O)OC

Formula: C27H29N4O2+

MW: 441.56 | LogP: 5.06

TPSA: 76.95

Patterns:

Imidazole

Detail

Select ID 250 DB Docking_panel_21

KB_Leish_188

ID 250

CN(Cc1nc2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2[nH]1)[C@H]1CCCc2cccnc21

Formula: C30H35N6O+

MW: 495.65 | LogP: 3.01

TPSA: 69.56

Patterns:

Imidazole

Detail

Select ID 254 DB Docking_panel_21

Z56781211

ID 254

Oc1ccc2ccccc2c1/C=N\Nc1nnc(-c2ncc[nH]2)c2ccccc12

Formula: C22H16N6O

MW: 380.41 | LogP: 4.32

TPSA: 99.08

Patterns:

Imidazole

Detail

Select ID 255 DB Docking_panel_21

OHD_TC1_128

ID 255

O=C(NCC[C@H]1CC[N@@H+](Cc2ccccc2)CC1)Nc1ncc(-c2ccc3c(c2)OCO3)[nH]1

Formula: C25H30N5O3+

MW: 448.55 | LogP: 2.81

TPSA: 92.71

Patterns:

Imidazole

Detail

Select ID 303 DB Docking_panel_21

OHD_TC1_132

ID 303

Clc1ccc([C@H](c2c[nH]cc2-c2ccc3ccccc3c2)n2cc[nH+]c2)c(Cl)c1

Formula: C24H18Cl2N3+

MW: 419.34 | LogP: 6.40

TPSA: 34.86

Patterns:

Imidazole

Detail

Select ID 325 DB Docking_panel_21

KB_Leish_39

ID 325

CCN(Cc1[nH]c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2[nH+]1)[C@H]1CCCc2cccnc21

Formula: C28H33N8O+

MW: 497.63 | LogP: 3.03

TPSA: 95.39

Patterns:

Imidazole

Detail

Select ID 403 DB Docking_panel_21

OHD_TB2020_4

ID 403

COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[N@@H+](C[C@H]4CCOC4)CC[C@H]3c3nc(-c4cc5ccccc5nc4OC)c[nH]3)c2c1

Formula: C34H37F3N7O4+

MW: 664.71 | LogP: 3.91

TPSA: 111.83

Patterns:

Imidazole

Detail

Select ID 437 DB Docking_panel_21

KB_HAT_157

ID 437

O=C1COC(c2ccccc2)(c2ccccc2)CN1[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1

Formula: C31H34N4O2+2

MW: 494.64 | LogP: 2.64

TPSA: 53.05

Patterns:

Imidazole

Detail

Page 1 / 10