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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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9 results for Pattern / motif query
Pattern / motif 9 results DB fairmol
Selected 0
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Query interpretation
Pattern registry Vnos: thiazolidine Thiazolidine
ID 1308 DB fairmol
2D structure

OHD_TC1_180

ID 1308

C/C(=N\N=C1/NC(=O)[C@@H](c2ccccc2)S1)c1ccc(Cl)cc1Cl

Formula: C17H13Cl2N3OS

MW: 378.28 | LogP: 4.68

TPSA: 53.82

Patterns:

Thiazolidine
Detail
ID 1777 DB fairmol
2D structure

OHD_TC1_185

ID 1777

COc1cc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)O)S2)ccc1O

Formula: C13H13N3O5S

MW: 323.33 | LogP: 0.80

TPSA: 120.58

Patterns:

Thiazolidine
Detail
ID 1828 DB fairmol
2D structure

OHD_TC1_182

ID 1828

CC[C@H]1S/C(=N/N=C(\C)c2ccc(Cl)cc2Cl)NC1=O

Formula: C13H13Cl2N3OS

MW: 330.24 | LogP: 3.72

TPSA: 53.82

Patterns:

Thiazolidine
Detail
ID 2323 DB fairmol
2D structure

ulfkktlib_901

ID 2323

O=C(CNC(=O)c1ccccc1)N/C=C1\SC(=S)NC1=O

Formula: C13H11N3O3S2

MW: 321.38 | LogP: 0.52

TPSA: 87.30

Patterns:

Thiazolidine
Detail
ID 2440 DB fairmol
2D structure

Z1541759905

ID 2440

CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1

Formula: C18H19N3O3S

MW: 357.44 | LogP: 2.49

TPSA: 71.53

Patterns:

Thiazolidine
Detail
ID 3244 DB fairmol
2D structure

Z46110225

ID 3244

CC[C@H]1CS/C(=N/c2ccc(C(=O)/C=C\c3cccc(C)c3)cc2)N1

Formula: C21H22N2OS

MW: 350.49 | LogP: 4.99

TPSA: 41.46

Patterns:

Thiazolidine
Detail
ID 5426 DB fairmol
2D structure

OHD_TC1_184

ID 5426

O=C(O)C[C@H]1S/C(=N/N=C\c2ccccc2Cl)NC1=O

Formula: C12H10ClN3O3S

MW: 311.75 | LogP: 1.74

TPSA: 91.12

Patterns:

Thiazolidine
Detail
ID 5438 DB fairmol
2D structure

Z2232931715

ID 5438

COc1cc(/C=C2/SC(=O)NC2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F

Formula: C19H11F3N2O4S

MW: 420.37 | LogP: 4.70

TPSA: 88.42

Patterns:

Thiazolidine
Detail
ID 5507 DB fairmol
2D structure

OHD_TC1_185

ID 5507

COc1cc(/C=N\N=C2/NC(=O)[C@H](CC(=O)O)S2)ccc1O

Formula: C13H13N3O5S

MW: 323.33 | LogP: 0.80

TPSA: 120.58

Patterns:

Thiazolidine
Detail