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Regex Pattern / motif 208 results

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208 results for Pattern / motif query

Cards

Pattern / motif 208 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: thiazole Thiazole

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:

Thiazole

Detail

Select ID 7 DB Docking_panel_21

KB_Leish_101

ID 7

Cc1ccc(Nc2nc([C@H]3CCC[N@@H+]3Cc3cc[nH]n3)cs2)nc1

Formula: C17H21N6S+

MW: 341.46 | LogP: 2.23

TPSA: 70.93

Patterns:

Thiazole

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:

Thiazole

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:

Thiazole

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:

Thiazole

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:

Thiazole

Detail

Select ID 30 DB Docking_panel_21

Z26404236

ID 30

Cc1ccc2nc(NC(=O)CCCc3nc4ccccc4s3)sc2c1

Formula: C19H17N3OS2

MW: 367.50 | LogP: 5.18

TPSA: 54.88

Patterns:

Thiazole

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:

Thiazole

Detail

Select ID 38 DB Docking_panel_21

Z14342059

ID 38

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

Formula: C24H17N5OS3

MW: 487.64 | LogP: 5.57

TPSA: 65.08

Patterns:

Thiazole

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:

Thiazole

Detail

Select ID 51 DB Docking_panel_21

Z278071350

ID 51

O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncc(Cc2ccc(F)c(F)c2)s1

Formula: C21H16F2N4O2S

MW: 426.45 | LogP: 3.82

TPSA: 87.74

Patterns:

Thiazole

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:

Thiazole

Detail

Select ID 127 DB Docking_panel_21

Z49605162

ID 127

O=C(N/N=C\c1sc(N2CCOCC2)nc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1

Formula: C25H27N5O4S2

MW: 525.66 | LogP: 3.20

TPSA: 104.20

Patterns:

Thiazole

Detail

Select ID 166 DB Docking_panel_21

Z19574387

ID 166

Cc1cccc(-n2c(SCc3cc(=O)n4ccsc4n3)nc3ccccc32)c1

Formula: C21H16N4OS2

MW: 404.52 | LogP: 4.70

TPSA: 52.19

Patterns:

Thiazole

Detail

Select ID 178 DB Docking_panel_21

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:

Thiazole

Detail

Select ID 195 DB Docking_panel_21

Z49835124

ID 195

O=C(COc1ccccc1-c1ccccc1)N/N=C/c1sc(Nc2ccccc2)nc1Cl

Formula: C24H19ClN4O2S

MW: 462.96 | LogP: 5.74

TPSA: 75.61

Patterns:

Thiazole

Detail

Select ID 211 DB Docking_panel_21

Z48204477

ID 211

Cc1cccc(C)c1-n1c(=O)/c(=C\c2ccncc2)s/c1=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12

Formula: C29H22N4O2S

MW: 490.59 | LogP: 4.09

TPSA: 91.54

Patterns:

Thiazole

Detail

Select ID 217 DB Docking_panel_21

Z275024592

ID 217

O/C(CSc1nnc2scc(-c3ccccc3)n12)=N\c1nsc(-c2ccccc2)n1

Formula: C20H14N6OS3

MW: 450.57 | LogP: 5.36

TPSA: 88.56

Patterns:

Thiazole

Detail

Select ID 309 DB Docking_panel_21

KB_HAT_48

ID 309

[NH3+]C[C@@H](Cc1ccccc1)NC(=O)c1cnc(-c2c[nH]c3ncccc23)s1

Formula: C20H20N5OS+

MW: 378.48 | LogP: 2.27

TPSA: 98.31

Patterns:

Thiazole

Detail

Select ID 364 DB Docking_panel_21

Z56815073

ID 364

O=C(CSc1ccc(Br)c2cccc(Cl)c12)Nc1ccc(S(=O)(=O)/N=c2/[nH]ccs2)cc1

Formula: C21H15BrClN3O3S3

MW: 568.93 | LogP: 5.67

TPSA: 91.39

Patterns:

Thiazole

Detail

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