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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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11 results for Pattern / motif query
Pattern / motif 11 results DB demo
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Query interpretation
Pattern registry Vnos: resorcinol Resorcinol
ID 42 DB demo
2D structure

Z49724748

ID 42

Cc1cc(SCC(=O)N/N=C\c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

Resorcinol
Detail
ID 78 DB demo
2D structure

TC490

ID 78

Cc1cc(C)c2c(c1C)O[C@@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)CN2

Formula: C22H26N4O3

MW: 394.48 | LogP: 3.58

TPSA: 92.43

Patterns:

Resorcinol
Detail
ID 603 DB demo
2D structure

OHD_TbNat_2

ID 603

CC(C)=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O

Formula: C20H20O5

MW: 340.38 | LogP: 3.91

TPSA: 97.99

Patterns:

Resorcinol
Detail
ID 944 DB demo
2D structure

Z19459210

ID 944

COc1cc(-c2nnc(SCc3cc(=O)oc4cc(O)c(O)cc34)o2)cc(OC)c1OC

Formula: C21H18N2O8S

MW: 458.45 | LogP: 3.57

TPSA: 137.28

Patterns:

Resorcinol
Detail
ID 1186 DB demo
2D structure

TC287

ID 1186

[NH3+]Cc1cn(CCc2ccc(O)cc2O)nn1

Formula: C11H15N4O2+

MW: 235.27 | LogP: -0.33

TPSA: 98.81

Patterns:

Resorcinol
Detail
ID 1482 DB demo
2D structure

TC345

ID 1482

[NH3+]Cc1nnc(Cc2ccc(O)cc2O)o1

Formula: C10H12N3O3+

MW: 222.22 | LogP: -0.19

TPSA: 107.02

Patterns:

Resorcinol
Detail
ID 1726 DB demo
2D structure

Z49719002

ID 1726

Oc1ccc(/C=N/Nc2ccc(Cl)nn2)c(O)c1O

Formula: C11H9ClN4O3

MW: 280.67 | LogP: 1.69

TPSA: 110.86

Patterns:

Resorcinol
Detail
ID 2278 DB demo
2D structure

Z2235487241

ID 2278

O=C(Nc1cc(Cl)c(O)cc1O)C1(c2ccccc2)CCC1

Formula: C17H16ClNO3

MW: 317.77 | LogP: 3.81

TPSA: 69.56

Patterns:

Resorcinol
Detail
ID 2877 DB demo
2D structure

GemmaOHDUnisi_36

ID 2877

Cn1c(-c2ccc(O)cc2)cc2cc(/C=C/C(=O)c3ccc(O)cc3O)ccc21

Formula: C24H19NO4

MW: 385.42 | LogP: 4.86

TPSA: 82.69

Patterns:

Resorcinol
Detail
ID 3363 DB demo
2D structure

Z56902329

ID 3363

CC/N=c1\scc(-c2ccc(Br)cc2)n1/N=C/c1ccc(O)c(O)c1O

Formula: C18H16BrN3O3S

MW: 434.32 | LogP: 3.90

TPSA: 90.34

Patterns:

Resorcinol
Detail
ID 3936 DB demo
2D structure

Z44851670

ID 3936

COc1ccc(/C=N\Nc2nncc3ccccc23)c(OC)c1

Formula: C17H16N4O2

MW: 308.34 | LogP: 3.09

TPSA: 68.63

Patterns:

Resorcinol
Detail