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 334 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

334 results for Pattern / motif query

Cards

Pattern / motif 334 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: quinoline Quinoline

Select ID 5 DB fairmol

Z45956756

ID 5

Oc1cccc(/C=C\c2ccc3cccc(O)c3[nH+]2)c1

Formula: C17H14NO2+

MW: 264.30 | LogP: 3.24

TPSA: 54.60

Patterns:

Quinoline

Detail

Select ID 125 DB fairmol

Z18798950

ID 125

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

Formula: C24H18N2O6

MW: 430.42 | LogP: 3.70

TPSA: 99.89

Patterns:

Quinoline

Detail

Select ID 133 DB fairmol

KB_chagas_54

ID 133

O=c1cc(NCCCN[C@@H]2CCOc3c(I)cc(Cl)cc32)[nH]c2ccccc12

Formula: C21H21ClIN3O2

MW: 509.78 | LogP: 4.70

TPSA: 66.15

Patterns:

Quinoline

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:

Quinoline

Detail

Select ID 157 DB fairmol

KB_HAT_8

ID 157

O=c1ccc2ccc(F)c3c2n1C[C@H]3C[N@H+]1CC[N@@H+](C[C@H](O)c2cc3c(cn2)OCS3)CC1

Formula: C24H27FN4O3S+2

MW: 470.57 | LogP: -0.41

TPSA: 73.23

Patterns:

Quinoline

Detail

Select ID 182 DB fairmol

KB_HAT_151

ID 182

COc1cc(F)c2ncc(F)c(CC[N@@H+]3CC[C@H]([NH2+]Cc4cc5c(cn4)OCS5)[C@@H](O)C3)c2c1

Formula: C24H28F2N4O3S+2

MW: 490.58 | LogP: 0.68

TPSA: 85.52

Patterns:

Quinoline

Detail

Select ID 184 DB fairmol

Z18797958

ID 184

COc1ccc(CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1OC

Formula: C25H22N2O6

MW: 446.46 | LogP: 3.99

TPSA: 99.89

Patterns:

Quinoline

Detail

Select ID 212 DB fairmol

Z57116466

ID 212

Cc1ccc2[nH]c(=O)c(C(=O)/C=C\c3ccccc3Cl)c(-c3ccccc3)c2c1

Formula: C25H18ClNO2

MW: 399.88 | LogP: 6.05

TPSA: 49.93

Patterns:

Quinoline

Detail

Select ID 266 DB fairmol

OHD_Leishmania_141

ID 266

CCCn1c2ccccc2c2c3c4ccccc4c(=O)n(CCc4cccc5ccccc45)c3ccc21

Formula: C34H28N2O

MW: 480.61 | LogP: 8.07

TPSA: 26.93

Patterns:

Quinoline

Detail

Select ID 272 DB fairmol

Z18797806

ID 272

O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1cccc(Cl)c1

Formula: C23H17ClN2O4

MW: 420.85 | LogP: 4.62

TPSA: 81.43

Patterns:

Quinoline

Detail

Select ID 308 DB fairmol

Z33480205

ID 308

Cn1c(CC(=O)N/N=C(\O)c2ccc3ccccc3n2)nc2ccccc21

Formula: C20H17N5O2

MW: 359.39 | LogP: 2.70

TPSA: 92.40

Patterns:

Quinoline

Detail

Select ID 310 DB fairmol

OHD_TB2021_64

ID 310

NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(=[NH2+])Nc3cnc4ccccc4c3)cc2)cc1

Formula: C28H31N5O2+2

MW: 469.59 | LogP: 1.95

TPSA: 120.58

Patterns:

Quinoline

Detail

Select ID 323 DB fairmol

Z20240762

ID 323

Cc1cc2nnc(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)n2c2ccccc12

Formula: C23H22ClN5O4S2

MW: 532.05 | LogP: 3.60

TPSA: 105.90

Patterns:

Quinoline

Detail

Select ID 339 DB fairmol

KB_HAT_168

ID 339

Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NC3CCCCC3)c(=O)c2c1

Formula: C23H25N3O4S

MW: 439.54 | LogP: 3.70

TPSA: 108.13

Patterns:

Quinoline

Detail

Select ID 347 DB fairmol

OHD_Babesia_29

ID 347

CC(C)(C)[NH2+]Cc1cc(Nc2ccnc3cc(Cl)ccc23)c2c(c1O)CCCC2

Formula: C24H29ClN3O+

MW: 410.97 | LogP: 5.08

TPSA: 61.76

Patterns:

Quinoline

Detail

Select ID 349 DB fairmol

OHD_Leishmania_372

ID 349

O=C1N=C(Nc2cnc3ccccc3c2)S/C1=C\c1cccc2c1C[NH+]=C2

Formula: C21H15N4OS+

MW: 371.45 | LogP: 2.33

TPSA: 68.32

Patterns:

Quinoline

Detail

Select ID 361 DB fairmol

KB_chagas_34

ID 361

O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC([NH2+]Cc2cc3ccccc3o2)CC1

Formula: C26H27FN3O2+

MW: 432.52 | LogP: 3.21

TPSA: 54.99

Patterns:

Quinoline

Detail

Select ID 386 DB fairmol

Z44847963

ID 386

O/C(=N\N=C/c1ccc(O)c(O)c1)c1ccc(CSc2cccc3cccnc23)cc1

Formula: C24H19N3O3S

MW: 429.50 | LogP: 5.28

TPSA: 98.30

Patterns:

Quinoline

Detail

Select ID 408 DB fairmol

Z2009870667

ID 408

CC(C)(O)c1ccccc1CC[C@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

Formula: C35H36ClNO3S

MW: 586.20 | LogP: 8.95

TPSA: 70.42

Patterns:

Quinoline

Detail

Select ID 413 DB fairmol

Z18798851

ID 413

O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccccc1Cl

Formula: C23H17ClN2O4

MW: 420.85 | LogP: 4.62

TPSA: 81.43

Patterns:

Quinoline

Detail

Page 1 / 17