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 86 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

86 results for Pattern / motif query

Cards

Pattern / motif 86 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: cyclopropane Cyclopropane

Select ID 65 DB fairmol

Z92413403

ID 65

NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1

Formula: C18H18N6O3S2

MW: 430.52 | LogP: 2.05

TPSA: 132.86

Patterns:

Cyclopropane

Detail

Select ID 147 DB fairmol

OHD_Leishmania_87

ID 147

COc1ccccc1-c1n[nH]c2cc(NC3CCN(C(=O)CC4CC4)CC3)ccc12

Formula: C24H28N4O2

MW: 404.51 | LogP: 4.44

TPSA: 70.25

Patterns:

Cyclopropane

Detail

Select ID 273 DB fairmol

KB_HAT_172

ID 273

O=C(N[C@H]1CC[N@H+]([C@H]2Cc3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc3C2)CC1)C1CC1

Formula: C24H28F2N3O3S+

MW: 476.57 | LogP: 1.81

TPSA: 79.71

Patterns:

Cyclopropane

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:

Cyclopropane

Detail

Select ID 422 DB fairmol

KB_HAT_96

ID 422

N#Cc1cccc(Cc2cc(Nc3cc(C4CC4)n[nH]3)nc(N3CC[C@H]3C(N)=O)n2)c1

Formula: C22H22N8O

MW: 414.47 | LogP: 2.35

TPSA: 136.61

Patterns:

Cyclopropane

Detail

Select ID 430 DB fairmol

OHD_Babesia_53

ID 430

O=C(O)c1cn(C2CC2)c2cc(N3CC[NH+](Cc4cn(Cc5ccc(Br)cc5)nn4)CC3)c(F)cc2c1=O

Formula: C27H27BrFN6O3+

MW: 582.45 | LogP: 2.48

TPSA: 97.69

Patterns:

Cyclopropane

Detail

Select ID 461 DB fairmol

Z2216296999

ID 461

Cn1cc(C#N)cc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12

Formula: C26H22ClN7O2

MW: 499.96 | LogP: 3.43

TPSA: 103.43

Patterns:

Cyclopropane

Detail

Select ID 512 DB fairmol

Z57168363

ID 512

CCOc1cccc(/C=N\NC(=O)c2cc(C3CC3)n[nH]2)c1O

Formula: C16H18N4O3

MW: 314.35 | LogP: 2.16

TPSA: 99.60

Patterns:

Cyclopropane

Detail

Select ID 623 DB fairmol

OHD_Babesia_49

ID 623

CN1CCN(C(=O)c2cn(C3CC3)c3cc(N4CC[NH+](Cc5cn(Cc6ccc(C(F)(F)F)cc6)nn5)CC4)c(F)cc3c2=O)CC1

Formula: C33H37F4N8O2+

MW: 653.70 | LogP: 2.43

TPSA: 83.94

Patterns:

Cyclopropane

Detail

Select ID 664 DB fairmol

Z48958290

ID 664

Cc1cc(C2=NN/C(=[NH+]/C3CC3)SC2)c(C)n1-c1ccccc1

Formula: C18H21N4S+

MW: 325.46 | LogP: 1.73

TPSA: 43.29

Patterns:

Cyclopropane

Detail

Select ID 697 DB fairmol

TC551

ID 697

NC(=O)c1cncc(C(=O)NCc2c[nH]c3[nH+]c(NC4CC4)ccc23)n1

Formula: C17H18N7O2+

MW: 352.38 | LogP: 0.38

TPSA: 139.93

Patterns:

Cyclopropane

Detail

Select ID 708 DB fairmol

TC409

ID 708

O[C@@H](c1cn(Cc2c[nH]c3nc(NC4CC4)ccc23)nn1)c1cccs1

Formula: C18H18N6OS

MW: 366.45 | LogP: 2.92

TPSA: 91.65

Patterns:

Cyclopropane

Detail

Select ID 742 DB fairmol

TC410

ID 742

O[C@@H](c1cn(Cc2c[nH]c3nc(NC4CC4)ccc23)nn1)c1ccco1

Formula: C18H18N6O2

MW: 350.38 | LogP: 2.45

TPSA: 104.79

Patterns:

Cyclopropane

Detail

Select ID 770 DB fairmol

TC408

ID 770

O[C@H](c1ccccn1)c1cn(Cc2c[nH]c3nc(NC4CC4)ccc23)nn1

Formula: C19H19N7O

MW: 361.41 | LogP: 2.25

TPSA: 104.54

Patterns:

Cyclopropane

Detail

Select ID 887 DB fairmol

KB_chagas_199

ID 887

CN(Cc1cccnc1)Cc1ccc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)nc1

Formula: C27H30ClN5O

MW: 476.02 | LogP: 4.14

TPSA: 52.57

Patterns:

Cyclopropane

Detail

Select ID 933 DB fairmol

KB_chagas_157

ID 933

O=C(N1CCc2ccccc2CC1)C1(C(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC1

Formula: C26H29N5O3

MW: 459.55 | LogP: 2.30

TPSA: 91.30

Patterns:

Cyclopropane

Detail

Select ID 958 DB fairmol

KB_HAT_171

ID 958

COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C[C@@H](N2CCC(NC(=O)C4CC4)CC2)C3)c1

Formula: C25H31N3O4S

MW: 469.61 | LogP: 2.95

TPSA: 87.74

Patterns:

Cyclopropane

Detail

Select ID 998 DB fairmol

OHD_Babesia_52

ID 998

O=C(O)c1cn(C2CC2)c2cc(N3CC[NH+](Cc4cn(Cc5ccc(F)cc5)nn4)CC3)c(F)cc2c1=O

Formula: C27H27F2N6O3+

MW: 521.55 | LogP: 1.86

TPSA: 97.69

Patterns:

Cyclopropane

Detail

Select ID 1006 DB fairmol

OHD_Babesia_51

ID 1006

O=C(O)c1cn(C2CC2)c2cc(N3CCN(Cc4cn(Cc5ccc(C(F)(F)F)cc5)nn4)CC3)c(F)cc2c1=O

Formula: C28H26F4N6O3

MW: 570.55 | LogP: 4.15

TPSA: 96.49

Patterns:

Cyclopropane

Detail

Select ID 1151 DB fairmol

KB_HAT_171

ID 1151

COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C[C@H]([N@H+]2CC[C@@H](NC(=O)C4CC4)CC2)C3)c1

Formula: C25H32N3O4S+

MW: 470.62 | LogP: 1.54

TPSA: 88.94

Patterns:

Cyclopropane

Detail

Page 1 / 5