Compounds

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.

Open analysis

Compounds 144 Samples 0

Search Workspace

Chemical search

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

Regex Pattern / motif 21 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

21 results for Pattern / motif query

Cards

Pattern / motif 21 results DB demo

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: alcohol Alcohol

Select ID 83 DB demo

KB_HAT_125

ID 83

Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1

Formula: C21H25N5OS

MW: 395.53 | LogP: 4.29

TPSA: 82.96

Patterns:

Alcohol

Detail

Select ID 423 DB demo

OHD_MAC_47

ID 423

COc1ccc(/C=N/Nc2ncnc3c(Nc4ccc(OCCCO)cc4)ncnc23)cc1O

Formula: C23H23N7O4

MW: 461.48 | LogP: 3.08

TPSA: 146.90

Patterns:

Alcohol

Detail

Select ID 589 DB demo

OHD_MAC_49

ID 589

OCCCOc1ccc(Nc2ncnc3c(N/N=C/c4ccc(O)c(O)c4)ncnc23)cc1

Formula: C22H21N7O4

MW: 447.46 | LogP: 2.78

TPSA: 157.90

Patterns:

Alcohol

Detail

Select ID 1545 DB demo

Z1162463429

ID 1545

Cc1cn([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

Formula: C10H14N2O5

MW: 242.23 | LogP: -1.51

TPSA: 104.55

Patterns:

Alcohol

Detail

Select ID 1757 DB demo

TC261

ID 1757

COc1ccc(CCn2cc(CO)nn2)cc1OC

Formula: C13H17N3O3

MW: 263.30 | LogP: 1.03

TPSA: 69.40

Patterns:

Alcohol

Detail

Select ID 1976 DB demo

OHD_TB2021_16

ID 1976

Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O

Formula: C11H12FIN4O3

MW: 394.14 | LogP: 0.21

TPSA: 106.42

Patterns:

Alcohol

Detail

Select ID 2011 DB demo

NMT-TY0141

ID 2011

Nc1nc2n(c(=O)c1N)C[C@H](O)CS2

Formula: C7H10N4O2S

MW: 214.25 | LogP: -1.13

TPSA: 107.16

Patterns:

Alcohol

Detail

Select ID 2025 DB demo

Z1269163651

ID 2025

OCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

Formula: C8H18NO5+

MW: 208.23 | LogP: -4.68

TPSA: 105.59

Patterns:

Alcohol

Detail

Select ID 2301 DB demo

Z1980898745

ID 2301

OC[C@H]1O[C@@H](n2cnc3c(N4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O

Formula: C18H19N5O4

MW: 369.38 | LogP: 0.13

TPSA: 116.76

Patterns:

Alcohol

Detail

Select ID 3052 DB demo

KB_chagas_52

ID 3052

COc1ccc2nccc([C@H](O)CN3CC[C@H](NC(=O)c4ccc(Br)cc4)[C@@H](O)C3)c2n1

Formula: C23H25BrN4O4

MW: 501.38 | LogP: 2.30

TPSA: 107.81

Patterns:

Alcohol

Detail

Select ID 3332 DB demo

OHD_TbNat_16

ID 3332

C[C@@H]1O[C@@H](Oc2cccc3c2C(=O)c2ccc(C[C@@](C)(O)CC(=O)O)c(O)c2C3=O)[C@H](O)[C@H](O)[C@H]1O

Formula: C25H26O11

MW: 502.47 | LogP: 0.14

TPSA: 191.05

Patterns:

Alcohol

Detail

Select ID 3836 DB demo

OHD_Babesia_21

ID 3836

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@@H](C)O1)C[C@@](O)(C(=O)CO)C3

Formula: C27H29NO11

MW: 543.53 | LogP: 0.00

TPSA: 206.07

Patterns:

Alcohol

Detail

Select ID 4512 DB demo

OHD_MAC_16

ID 4512

OCCCOc1cccc(Nc2ncnc3c(N/N=C/c4ccc(O)c(O)c4)ncnc23)c1

Formula: C22H21N7O4

MW: 447.46 | LogP: 2.78

TPSA: 157.90

Patterns:

Alcohol

Detail

Select ID 4763 DB demo

Z281786934

ID 4763

O=C(N[C@H]1CC[C@H](O)CC1)N[C@H]1CC[C@H](O)CC1

Formula: C13H24N2O3

MW: 256.35 | LogP: 0.89

TPSA: 81.59

Patterns:

Alcohol

Detail

Select ID 4811 DB demo

Z1501485359

ID 4811

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(C[NH+](C)C)c(O)ccc3nc2-1

Formula: C23H24N3O5+

MW: 422.46 | LogP: 0.43

TPSA: 106.09

Patterns:

Alcohol

Detail

Select ID 5240 DB demo

ulfkktlib_3457

ID 5240

O=C(NCCCO)[C@@H]1C[C@H](NS(=O)(=O)c2ccccc2)C(=O)N1

Formula: C14H19N3O5S

MW: 341.39 | LogP: -1.28

TPSA: 124.60

Patterns:

Alcohol

Detail

Select ID 5343 DB demo

TC455

ID 5343

C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CC=C(CF)CO1

Formula: C24H35FO2

MW: 374.54 | LogP: 5.37

TPSA: 29.46

Patterns:

Alcohol

Detail

Select ID 5363 DB demo

OHD_TB2021_14

ID 5363

Nc1ncnn2c([C@@H]3O[C@H](CO)C[C@H]3O)cc(Br)c12

Formula: C11H13BrN4O3

MW: 329.15 | LogP: 0.26

TPSA: 105.90

Patterns:

Alcohol

Detail

Select ID 5377 DB demo

TC64

ID 5377

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O2

MW: 416.61 | LogP: 5.74

TPSA: 37.30

Patterns:

Alcohol

Detail

Select ID 5383 DB demo

TC152

ID 5383

COc1ccc(C#CC(=O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1

Formula: C29H36O3

MW: 432.60 | LogP: 5.56

TPSA: 46.53

Patterns:

Alcohol

Detail

Page 1 / 2