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Regex Pattern / motif 312 results

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312 results for Pattern / motif query

Cards

Pattern / motif 312 results DB fairmol

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Query interpretation

Pattern registry Vnos: thiazole Thiazole

Select ID 10 DB fairmol

Z14342059

ID 10

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

Formula: C24H17N5OS3

MW: 487.64 | LogP: 5.57

TPSA: 65.08

Patterns:

Thiazole

Detail

Select ID 11 DB fairmol

KB_chagas_114

ID 11

CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1

Formula: C16H13ClN2O3S3

MW: 412.95 | LogP: 4.11

TPSA: 76.13

Patterns:

Thiazole

Detail

Select ID 83 DB fairmol

KB_HAT_125

ID 83

Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1

Formula: C21H25N5OS

MW: 395.53 | LogP: 4.29

TPSA: 82.96

Patterns:

Thiazole

Detail

Select ID 85 DB fairmol

Z29467806

ID 85

Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1S(=O)(=O)N1CCOCC1

Formula: C20H20N4O4S2

MW: 444.54 | LogP: 2.79

TPSA: 101.49

Patterns:

Thiazole

Detail

Select ID 91 DB fairmol

Z56842660

ID 91

CNc1sc(C(=O)c2ccccc2F)c(N)c1-c1nc2ccccc2s1

Formula: C19H14FN3OS2

MW: 383.47 | LogP: 5.02

TPSA: 68.01

Patterns:

Thiazole

Detail

Select ID 96 DB fairmol

Z56842667

ID 96

CNc1sc(C(=O)c2ccc(F)cc2)c(N)c1-c1nc2ccccc2s1

Formula: C19H14FN3OS2

MW: 383.47 | LogP: 5.02

TPSA: 68.01

Patterns:

Thiazole

Detail

Select ID 98 DB fairmol

Z56802793

ID 98

C[n+]1c(S)n[nH]c1CSc1[nH+]c2ccccc2s1

Formula: C11H12N4S3+2

MW: 296.45 | LogP: 1.84

TPSA: 46.70

Patterns:

Thiazole

Detail

Select ID 113 DB fairmol

KB_chagas_72

ID 113

O[C@H]1CC[C@H](Nc2nccc(-c3sc(C4CCOCC4)nc3-c3ccc(F)c(F)c3)n2)CC1

Formula: C24H26F2N4O2S

MW: 472.56 | LogP: 5.15

TPSA: 80.16

Patterns:

Thiazole

Detail

Select ID 118 DB fairmol

Z1546610486

ID 118

Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CC[NH+](CCO)CC2)n1

Formula: C22H27ClN7O2S+

MW: 489.03 | LogP: 1.90

TPSA: 107.71

Patterns:

Thiazole

Detail

Select ID 136 DB fairmol

Z55547277

ID 136

COc1cccc(CN2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1

Formula: C21H18ClN3O2S

MW: 411.91 | LogP: 4.18

TPSA: 68.45

Patterns:

Thiazole

Detail

Select ID 217 DB fairmol

Z49605162

ID 217

O=S(=O)(c1cccc(/C(O)=N/N=C\c2sc(N3CCOCC3)nc2-c2ccccc2)c1)N1CCCC1

Formula: C25H27N5O4S2

MW: 525.66 | LogP: 3.77

TPSA: 107.69

Patterns:

Thiazole

Detail

Select ID 263 DB fairmol

Z56833421

ID 263

O=C(Cc1csc(N2CCOCC2)n1)N/N=C/c1ccc(O)c(O)c1O

Formula: C16H18N4O5S

MW: 378.41 | LogP: 0.79

TPSA: 127.51

Patterns:

Thiazole

Detail

Select ID 278 DB fairmol

Z56578031

ID 278

COc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)n2)cc1

Formula: C23H17F2N3O4S2

MW: 501.54 | LogP: 5.15

TPSA: 97.39

Patterns:

Thiazole

Detail

Select ID 318 DB fairmol

Z56815073

ID 318

O=C(CSc1ccc(Br)c2cccc(Cl)c12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

Formula: C21H15BrClN3O3S3

MW: 568.93 | LogP: 6.24

TPSA: 88.16

Patterns:

Thiazole

Detail

Select ID 345 DB fairmol

Z18551701

ID 345

C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1

Formula: C20H20ClN3O4S3

MW: 498.05 | LogP: 4.09

TPSA: 88.60

Patterns:

Thiazole

Detail

Select ID 367 DB fairmol

Z29466466

ID 367

O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1

Formula: C21H18N4O4S

MW: 422.47 | LogP: 2.97

TPSA: 93.65

Patterns:

Thiazole

Detail

Select ID 392 DB fairmol

Z28419783

ID 392

O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1

Formula: C24H19N3O6S

MW: 477.50 | LogP: 4.43

TPSA: 107.04

Patterns:

Thiazole

Detail

Select ID 410 DB fairmol

Z56891526

ID 410

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

Formula: C12H14N3O3S+

MW: 280.33 | LogP: -0.53

TPSA: 91.95

Patterns:

Thiazole

Detail

Select ID 417 DB fairmol

KB_HAT_185

ID 417

NC(=[NH2+])Nc1nc(-c2ccc(NC(=[NH2+])NCC[NH+]3CCCC3)cc2)cs1

Formula: C17H27N8S+3

MW: 375.53 | LogP: -2.91

TPSA: 130.62

Patterns:

Thiazole

Detail

Select ID 463 DB fairmol

KB_Leish_20

ID 463

COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1

Formula: C22H18N4O4S2

MW: 466.54 | LogP: 4.27

TPSA: 110.28

Patterns:

Thiazole

Detail

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