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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 demo
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Query interpretation
Pattern registry Vnos: furan Furan
ID 2 DB demo
2D structure

Z20253414

ID 2

Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccccc1

Formula: C17H17N5O3S

MW: 371.42 | LogP: 2.19

TPSA: 102.05

Patterns:

Furan
Detail
ID 219 DB demo
2D structure

Z29514151

ID 219

Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)coc2c1

Formula: C23H24N2O6S

MW: 456.52 | LogP: 2.59

TPSA: 89.29

Patterns:

Furan
Detail
ID 1140 DB demo
2D structure

Z30002984

ID 1140

O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12

Formula: C27H20FN3O4S

MW: 501.54 | LogP: 5.36

TPSA: 101.30

Patterns:

Furan
Detail
ID 1632 DB demo
2D structure

Z18651473

ID 1632

Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1ccc2c(c1)OCCO2

Formula: C22H19N3O5S

MW: 437.48 | LogP: 4.48

TPSA: 92.52

Patterns:

Furan
Detail
ID 1671 DB demo
2D structure

Z54323248

ID 1671

O=C(N/N=C/c1ccc([N+](=O)O)o1)c1ccc(NS(=O)(=O)c2cccs2)cc1

Formula: C16H13N4O6S2+

MW: 421.44 | LogP: 2.71

TPSA: 141.08

Patterns:

Furan
Detail
ID 4037 DB demo
2D structure

Z49628846

ID 4037

C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cc2ccccc2o1

Formula: C21H16N2O3

MW: 344.37 | LogP: 4.45

TPSA: 74.83

Patterns:

Furan
Detail
ID 5135 DB demo
2D structure

ulfkktlib_987

ID 5135

CC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)oc2-c2cc3ccccc3cn2)cc1

Formula: C28H18F3NO2

MW: 457.45 | LogP: 8.05

TPSA: 43.10

Patterns:

Furan
Detail
ID 5243 DB demo
2D structure

Z432415022

ID 5243

Cc1nn2c(N3CCN(C(=O)c4ccco4)CC3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1

Formula: C26H28ClN5O2

MW: 478.00 | LogP: 5.21

TPSA: 66.88

Patterns:

Furan
Detail
ID 5477 DB demo
2D structure

KB_HAT_22

ID 5477

O=C(NCc1nnc2n1CCCCC2)c1ccc(-c2ccc(F)cc2)o1

Formula: C19H19FN4O2

MW: 354.38 | LogP: 3.33

TPSA: 72.95

Patterns:

Furan
Detail