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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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Results

42 results for Pattern / motif query
Pattern / motif 42 results DB Docking_panel_21
Selected 0
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: benzothiazole Benzothiazole
ID 30 DB Docking_panel_21
2D structure

Z26404236

ID 30

Cc1ccc2nc(NC(=O)CCCc3nc4ccccc4s3)sc2c1

Formula: C19H17N3OS2

MW: 367.50 | LogP: 5.18

TPSA: 54.88

Patterns:

Benzothiazole
Detail
ID 38 DB Docking_panel_21
2D structure

Z14342059

ID 38

O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12

Formula: C24H17N5OS3

MW: 487.64 | LogP: 5.57

TPSA: 65.08

Patterns:

Benzothiazole
Detail
ID 178 DB Docking_panel_21
2D structure

Z25276890

ID 178

O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cc(=O)n2c(n1)sc1ccccc12

Formula: C24H18N2O4S

MW: 430.49 | LogP: 4.43

TPSA: 73.81

Patterns:

Benzothiazole
Detail
ID 544 DB Docking_panel_21
2D structure

Z45925616

ID 544

O=C(Nc1ccc(Cl)cc1)/C(=C\c1cccc(O)c1)c1nc2ccccc2s1

Formula: C22H15ClN2O2S

MW: 406.89 | LogP: 5.83

TPSA: 62.22

Patterns:

Benzothiazole
Detail
ID 759 DB Docking_panel_21
2D structure

Z29325821

ID 759

Cc1cnc(NC(=O)CCCc2nc3ccccc3s2)s1

Formula: C15H15N3OS2

MW: 317.44 | LogP: 4.02

TPSA: 54.88

Patterns:

Benzothiazole
Detail
ID 763 DB Docking_panel_21
2D structure

Z56802793

ID 763

Cn1c(CSc2nc3ccccc3s2)n[nH]c1=S

Formula: C11H10N4S3

MW: 294.43 | LogP: 3.38

TPSA: 46.50

Patterns:

Benzothiazole
Detail
ID 764 DB Docking_panel_21
2D structure

Z55176258

ID 764

c1ccc(CNc2nc3ccccc3s2)cc1

Formula: C14H12N2S

MW: 240.33 | LogP: 3.91

TPSA: 24.92

Patterns:

Benzothiazole
Detail
ID 765 DB Docking_panel_21
2D structure

Z19654250

ID 765

Cc1csc(NC(=O)CSc2nc3ccccc3s2)n1

Formula: C13H11N3OS3

MW: 321.45 | LogP: 3.79

TPSA: 54.88

Patterns:

Benzothiazole
Detail
ID 767 DB Docking_panel_21
2D structure

Z86240607

ID 767

c1ccc2sc(NCCCn3ccnc3)nc2c1

Formula: C13H14N4S

MW: 258.35 | LogP: 3.00

TPSA: 42.74

Patterns:

Benzothiazole
Detail
ID 774 DB Docking_panel_21
2D structure

Z56845221

ID 774

CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S

Formula: C12H12N4S3

MW: 308.46 | LogP: 3.86

TPSA: 46.50

Patterns:

Benzothiazole
Detail
ID 795 DB Docking_panel_21
2D structure

Z19652968

ID 795

COCCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C

Formula: C18H20N2O2S2

MW: 360.50 | LogP: 4.34

TPSA: 44.12

Patterns:

Benzothiazole
Detail
ID 814 DB Docking_panel_21
2D structure

Z30199727

ID 814

O=C(Cc1ccccc1)Nc1nc2ccccc2s1

Formula: C15H12N2OS

MW: 268.34 | LogP: 3.48

TPSA: 41.99

Patterns:

Benzothiazole
Detail
ID 830 DB Docking_panel_21
2D structure

KB_chagas_185

ID 830

CN(Cc1nc2ccccc2s1)C(=O)/C=C\c1cc2ccccc2o1

Formula: C20H16N2O2S

MW: 348.43 | LogP: 4.71

TPSA: 46.34

Patterns:

Benzothiazole
Detail
ID 866 DB Docking_panel_21
2D structure

Z85501289

ID 866

O=C(Cc1ccccc1)NCC(=O)Nc1nc2ccccc2s1

Formula: C17H15N3O2S

MW: 325.39 | LogP: 2.59

TPSA: 71.09

Patterns:

Benzothiazole
Detail
ID 886 DB Docking_panel_21
2D structure

Z20255081

ID 886

CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1

Formula: C20H18N4O3S3

MW: 458.59 | LogP: 4.59

TPSA: 101.13

Patterns:

Benzothiazole
Detail
ID 896 DB Docking_panel_21
2D structure

Z118508076

ID 896

O=C(CCn1c(=O)sc2ccccc21)Nc1nc2ccccc2s1

Formula: C17H13N3O2S2

MW: 355.44 | LogP: 3.70

TPSA: 63.99

Patterns:

Benzothiazole
Detail
ID 912 DB Docking_panel_21
2D structure

Z30200182

ID 912

O=C(Nc1nc2ccccc2s1)[C@H]1COc2ccccc2O1

Formula: C16H12N2O3S

MW: 312.35 | LogP: 3.07

TPSA: 60.45

Patterns:

Benzothiazole
Detail
ID 934 DB Docking_panel_21
2D structure

Z16872527

ID 934

CCCn1c(=O)c2ccccc2n2c(SCc3nc4ccccc4s3)nnc12

Formula: C20H17N5OS2

MW: 407.52 | LogP: 4.36

TPSA: 65.08

Patterns:

Benzothiazole
Detail
ID 948 DB Docking_panel_21
2D structure

Z19673935

ID 948

O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)c1ccc(O)cc1

Formula: C18H12N2O4S

MW: 352.37 | LogP: 2.97

TPSA: 80.90

Patterns:

Benzothiazole
Detail
ID 950 DB Docking_panel_21
2D structure

Z56777163

ID 950

COc1ccc2c(c1)sc(N)[n+]2Cc1cc(C)cc2cccnc12

Formula: C19H18N3OS+

MW: 336.44 | LogP: 3.68

TPSA: 52.02

Patterns:

Benzothiazole
Detail
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