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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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8 results for Pattern / motif query
Pattern / motif 8 results DB fairmol
Selected 0
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Query interpretation
Pattern registry Vnos: sulfinyl Sulfinyl
ID 146 DB fairmol
2D structure

KB_HAT_192

ID 146

O=[S@@]1N=C(NCCCN(Cc2ccc(F)cc2)c2cccc[nH+]2)C(NCc2ccncc2)=N1

Formula: C23H25FN7OS+

MW: 466.57 | LogP: 2.20

TPSA: 96.12

Patterns:

Sulfinyl
Detail
ID 773 DB fairmol
2D structure

KB_HAT_192

ID 773

O=[S@]1N=C(NCCCN(Cc2ccc(F)cc2)c2cccc[nH+]2)C(NCc2ccncc2)=N1

Formula: C23H25FN7OS+

MW: 466.57 | LogP: 2.20

TPSA: 96.12

Patterns:

Sulfinyl
Detail
ID 1805 DB fairmol
2D structure

KB_HAT_192

ID 1805

O=[S@@]1N=C(NCCCN(Cc2ccc(F)cc2)c2ccccn2)/C(=N/Cc2ccncc2)N1

Formula: C23H24FN7OS

MW: 465.56 | LogP: 2.78

TPSA: 94.87

Patterns:

Sulfinyl
Detail
ID 1852 DB fairmol
2D structure

Z1557407327

ID 1852

O=c1c(CC[S@](=O)c2ccccc2)c(O)n(-c2ccccc2)n1-c1ccccc1

Formula: C23H20N2O3S

MW: 404.49 | LogP: 3.68

TPSA: 64.23

Patterns:

Sulfinyl
Detail
ID 2351 DB fairmol
2D structure

Z1501475006

ID 2351

COc1ccc2nc([S@@](=O)Cc3[nH+]cc(C)c(OC)c3C)[nH]c2c1

Formula: C17H20N3O3S+

MW: 346.43 | LogP: 2.32

TPSA: 78.35

Patterns:

Sulfinyl
Detail
ID 2576 DB fairmol
2D structure

KB_HAT_192

ID 2576

O=[S@@]1N=C(NCc2ccncc2)C(NCCCN(Cc2ccc(F)cc2)c2cccc[nH+]2)=[NH+]1

Formula: C23H26FN7OS+2

MW: 467.57 | LogP: 0.28

TPSA: 97.73

Patterns:

Sulfinyl
Detail
ID 4058 DB fairmol
2D structure

KB_HAT_192

ID 4058

O=[S@@]1N=C(NCCCN(Cc2ccc(F)cc2)c2cccc[nH+]2)C(NCc2cc[nH+]cc2)=N1

Formula: C23H26FN7OS+2

MW: 467.57 | LogP: 1.62

TPSA: 97.37

Patterns:

Sulfinyl
Detail
ID 5251 DB fairmol
2D structure

KB_HAT_192

ID 5251

O=[S@]1N=C(NCCCN(Cc2ccc(F)cc2)c2ccccn2)C(NCc2ccncc2)=N1

Formula: C23H24FN7OS

MW: 465.56 | LogP: 2.78

TPSA: 94.87

Patterns:

Sulfinyl
Detail