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 575 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

575 results for Pattern / motif query

Cards

Pattern / motif 575 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: imine Imine

Select ID 2 DB Docking_panel_21

Z56911531

ID 2

C/[NH+]=c1/scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C15H14N3O3S2+

MW: 348.43 | LogP: 0.89

TPSA: 91.95

Patterns:

Imine

Detail

Select ID 8 DB Docking_panel_21

Z56900576

ID 8

C=CC/[NH+]=c1/scc(-c2ccco2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H16N3O4S+

MW: 358.40 | LogP: 0.98

TPSA: 105.09

Patterns:

Imine

Detail

Select ID 12 DB Docking_panel_21

Z56932065

ID 12

CC(C)/[NH+]=c1/scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O3S2+

MW: 376.48 | LogP: 1.67

TPSA: 91.95

Patterns:

Imine

Detail

Select ID 13 DB Docking_panel_21

Z56902329

ID 13

CC/N=c1/scc(-c2ccc(Br)cc2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C18H16BrN3O3S

MW: 434.32 | LogP: 3.90

TPSA: 90.34

Patterns:

Imine

Detail

Select ID 19 DB Docking_panel_21

Z56935963

ID 19

COCC/[NH+]=c1\scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O4S2+

MW: 392.48 | LogP: 0.90

TPSA: 101.18

Patterns:

Imine

Detail

Select ID 21 DB Docking_panel_21

Z49724748

ID 21

Cc1cc(SCC(=O)N/N=C/c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

Imine

Detail

Select ID 26 DB Docking_panel_21

Z56784490

ID 26

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1)c1cccs1

Formula: C23H19ClN4O2S

MW: 450.95 | LogP: 4.37

TPSA: 86.35

Patterns:

Imine

Detail

Select ID 27 DB Docking_panel_21

Z44851564

ID 27

Cc1[nH]c2ccccc2c1/C=N/Nc1nncc2ccccc12

Formula: C18H15N5

MW: 301.35 | LogP: 3.87

TPSA: 65.96

Patterns:

Imine

Detail

Select ID 35 DB Docking_panel_21

Z49536372

ID 35

Oc1ccc(/C=N/Nc2ccc3ccccc3c2)c(O)c1

Formula: C17H14N2O2

MW: 278.31 | LogP: 3.70

TPSA: 64.85

Patterns:

Imine

Detail

Select ID 36 DB Docking_panel_21

Z56905026

ID 36

COCC/[NH+]=c1/scc(-c2ccco2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O5S+

MW: 376.41 | LogP: 0.44

TPSA: 114.32

Patterns:

Imine

Detail

Select ID 37 DB Docking_panel_21

Z56784505

ID 37

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Br)cc1)c1cccs1

Formula: C23H19BrN4O2S

MW: 495.40 | LogP: 4.48

TPSA: 86.35

Patterns:

Imine

Detail

Select ID 45 DB Docking_panel_21

Z56920485

ID 45

Cc1cs/c(=N\C2CCCCC2)n1/N=C/c1ccc(O)c(O)c1O

Formula: C17H21N3O3S

MW: 347.44 | LogP: 3.09

TPSA: 90.34

Patterns:

Imine

Detail

Select ID 52 DB Docking_panel_21

OHD_MAC_45

ID 52

Brc1cccc(/C=N/Nc2ncnc3c(Nc4cccnc4)ncnc23)c1

Formula: C18H13BrN8

MW: 421.26 | LogP: 3.77

TPSA: 100.87

Patterns:

Imine

Detail

Select ID 53 DB Docking_panel_21

Z49890534

ID 53

Cc1sc2ncnc(N/N=C/c3ccccc3O)c2c1C

Formula: C15H14N4OS

MW: 298.37 | LogP: 3.46

TPSA: 70.40

Patterns:

Imine

Detail

Select ID 62 DB Docking_panel_21

Z56960380

ID 62

S=c1[nH]nc(-c2ccccn2)n1/N=C/c1ccc(-c2ccccc2Br)o1

Formula: C18H12BrN5OS

MW: 426.30 | LogP: 4.91

TPSA: 72.00

Patterns:

Imine

Detail

Select ID 67 DB Docking_panel_21

Z275595534

ID 67

O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1)c1cc(-c2ccco2)nc2ccccc12

Formula: C26H24N4O4S

MW: 488.57 | LogP: 5.00

TPSA: 113.66

Patterns:

Imine

Detail

Select ID 85 DB Docking_panel_21

Z57457889

ID 85

O=C1C=Cc2ccccc2/C1=C\N/N=C(\O)c1cc(-c2ccc3ccccc3c2)n[nH]1

Formula: C25H18N4O2

MW: 406.45 | LogP: 4.68

TPSA: 90.37

Patterns:

Imine

Detail

Select ID 87 DB Docking_panel_21

Z56821211

ID 87

Cn1c(SCC(=O)N/N=C/c2ccc(O)c(O)c2)nc2ccccc21

Formula: C17H16N4O3S

MW: 356.41 | LogP: 2.23

TPSA: 99.74

Patterns:

Imine

Detail

Select ID 89 DB Docking_panel_21

Z56789391

ID 89

O=C1C=C/C(=C(\O)N/N=C/c2sc3ccccc3c2O)C(O)=C1

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.88

TPSA: 102.15

Patterns:

Imine

Detail

Select ID 104 DB Docking_panel_21

Z56920486

ID 104

COCC/N=c1/scc(-c2cc(OC)ccc2OC)n1/N=C/c1c[nH]c2ccccc12

Formula: C23H24N4O3S

MW: 436.54 | LogP: 4.14

TPSA: 73.13

Patterns:

Imine

Detail

Page 1 / 29