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 14 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

14 results for Pattern / motif query

Cards

Pattern / motif 14 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: cyclobutane Cyclobutane

Select ID 298 DB fairmol

KB_chagas_146

ID 298

COc1ccc(C[N@@H+](C)Cc2ccncc2)cc1-c1ccc(S(=O)(=O)NC2CCC2)s1

Formula: C23H28N3O3S2+

MW: 458.63 | LogP: 2.86

TPSA: 72.73

Patterns:

Cyclobutane

Detail

Select ID 376 DB fairmol

ulfkktlib_697

ID 376

C[C@@H]1[C@H]2CC=C(/C=[N+]3\NC(=O)[C@@H](NC(=O)c4ccccc4)[C@@H]3c3ccccc3)[C@]1(C)C2

Formula: C26H28N3O2+

MW: 414.53 | LogP: 3.65

TPSA: 61.21

Patterns:

Cyclobutane

Detail

Select ID 971 DB fairmol

OHD_TB2020_48

ID 971

C[N@H+](CCCN1CN(c2ccccc2)[C@]2(CC[N@H+](CC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)CC2)C1=O)CC1(O)CCN(C(N)=[NH2+])CC1

Formula: C35H60N7O2+3

MW: 610.91 | LogP: -1.02

TPSA: 107.51

Patterns:

Cyclobutane

Detail

Select ID 1836 DB fairmol

KB_chagas_58

ID 1836

Fc1ccc(O[C@H]2C[C@H]([NH2+]Cc3cccc4c[nH]nc34)C2)cc1C(F)(F)F

Formula: C19H18F4N3O+

MW: 380.37 | LogP: 3.39

TPSA: 54.52

Patterns:

Cyclobutane

Detail

Select ID 2278 DB fairmol

Z2235487241

ID 2278

O=C(Nc1cc(Cl)c(O)cc1O)C1(c2ccccc2)CCC1

Formula: C17H16ClNO3

MW: 317.77 | LogP: 3.81

TPSA: 69.56

Patterns:

Cyclobutane

Detail

Select ID 2817 DB fairmol

KB_HAT_5

ID 2817

COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CNC(=O)C2CCC2)cc1

Formula: C23H24ClN3O3

MW: 425.92 | LogP: 3.94

TPSA: 71.00

Patterns:

Cyclobutane

Detail

Select ID 2887 DB fairmol

OHD_TB2020_48

ID 2887

CN(CCCN1CN(c2ccccc2)[C@]2(CC[N@@H+](CC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)CC2)C1=O)CC1(O)CCN(C(N)=[NH2+])CC1

Formula: C35H59N7O2+2

MW: 609.90 | LogP: 0.40

TPSA: 106.31

Patterns:

Cyclobutane

Detail

Select ID 3129 DB fairmol

KB_HAT_101

ID 3129

CCCCc1cc(Nc2cc(C3CCC3)[nH]n2)nc(N2CC[C@H]2C(N)=O)n1

Formula: C19H27N7O

MW: 369.47 | LogP: 2.62

TPSA: 112.82

Patterns:

Cyclobutane

Detail

Select ID 3730 DB fairmol

KB_chagas_146

ID 3730

COc1ccc(CN(C)Cc2ccncc2)cc1-c1ccc(S(=O)(=O)NC2CCC2)s1

Formula: C23H27N3O3S2

MW: 457.62 | LogP: 4.28

TPSA: 71.53

Patterns:

Cyclobutane

Detail

Select ID 4219 DB fairmol

KB_chagas_211

ID 4219

CN(C(=O)Nc1ccc2c(c1)CC[N@H+](C1CCC1)CC2)c1ccc(C#N)cc1

Formula: C23H27N4O+

MW: 375.50 | LogP: 2.76

TPSA: 60.57

Patterns:

Cyclobutane

Detail

Select ID 4545 DB fairmol

KB_HAT_37

ID 4545

O=C(O)[C@H]1C[C@@H]1c1ccc(-c2ccc(CN(CCc3ccccn3)C(=O)C3CCC3)cc2)cc1

Formula: C29H30N2O3

MW: 454.57 | LogP: 5.31

TPSA: 70.50

Patterns:

Cyclobutane

Detail

Select ID 4699 ★ Native ligand DB fairmol

6RB5

ID 4699

C[N@@H+](CCCN1CN(c2ccccc2)[C@]2(CC[N@@H+](CC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)CC2)C1=O)CC1(O)CCN([C](N)N)CC1

Formula: C35H60N7O2+2

MW: 610.91 | LogP: 0.27

TPSA: 107.94

Patterns:

Cyclobutane

Detail

Select ID 5015 DB fairmol

KB_HAT_101

ID 5015

CCCCc1cc(Nc2cc(C3CCC3)[nH]n2)[nH+]c(N2CC[C@H]2C(N)=O)n1

Formula: C19H28N7O+

MW: 370.48 | LogP: 2.04

TPSA: 114.07

Patterns:

Cyclobutane

Detail

Select ID 5498 DB fairmol

KB_chagas_176

ID 5498

COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CNC(=O)C2CCC2)cc1

Formula: C23H24ClN3O3

MW: 425.92 | LogP: 3.94

TPSA: 71.00

Patterns:

Cyclobutane

Detail