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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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6 results for Pattern / motif query
Pattern / motif 6 results DB fairmol
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Query interpretation
Pattern registry Vnos: isothiazole Isothiazole
ID 46 DB fairmol
2D structure

Z56849599

ID 46

O=c1c2ccccc2sn1-c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1

Formula: C19H13ClN2O3S2

MW: 416.91 | LogP: 4.51

TPSA: 68.17

Patterns:

Isothiazole
Detail
ID 1058 DB fairmol
2D structure

Z56798568

ID 1058

O=c1c2ccccc2sn1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1

Formula: C21H23N3O4S2

MW: 445.57 | LogP: 2.67

TPSA: 71.85

Patterns:

Isothiazole
Detail
ID 4831 DB fairmol
2D structure

Z56796236

ID 4831

O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)N2CCOCC2)cc1

Formula: C17H16N2O4S2

MW: 376.46 | LogP: 2.07

TPSA: 68.61

Patterns:

Isothiazole
Detail
ID 5069 DB fairmol
2D structure

Z56796235

ID 5069

O=c1c2ccccc2sn1-c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1

Formula: C17H15ClN2O4S2

MW: 410.90 | LogP: 2.73

TPSA: 68.61

Patterns:

Isothiazole
Detail
ID 5076 DB fairmol
2D structure

Z56798522

ID 5076

CN(C)S(=O)(=O)c1cccc(-n2sc3ccccc3c2=O)c1

Formula: C15H14N2O3S2

MW: 334.42 | LogP: 2.30

TPSA: 59.38

Patterns:

Isothiazole
Detail
ID 5120 DB fairmol
2D structure

Z56798582

ID 5120

Cc1ccc(-n2sc3ccccc3c2=O)cc1S(=O)(=O)N1CCCCC1

Formula: C19H20N2O3S2

MW: 388.51 | LogP: 3.54

TPSA: 59.38

Patterns:

Isothiazole
Detail