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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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8 results for Pattern / motif query
Pattern / motif 8 results DB demo
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Query interpretation
Pattern registry Vnos: ester Ester
ID 1973 DB demo
2D structure

ulfkktlib_1973

ID 1973

COC(=O)c1cn(-c2ncccc2O)c(=O)cc1O

Formula: C12H10N2O5

MW: 262.22 | LogP: 0.43

TPSA: 101.65

Patterns:

Ester
Detail
ID 2202 DB demo
2D structure

Z19114457

ID 2202

CC(C)c1ccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)cc1

Formula: C15H17N3O2S2

MW: 335.45 | LogP: 3.81

TPSA: 64.11

Patterns:

Ester
Detail
ID 2912 DB demo
2D structure

OHD_TbNat_65

ID 2912

O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O

Formula: C18H16O8

MW: 360.32 | LogP: 1.76

TPSA: 144.52

Patterns:

Ester
Detail
ID 3926 DB demo
2D structure

ulfkktlib_2320

ID 3926

O=C(N[C@@H]1CN(/C=C2\C(=O)N[C@@H](Cc3ccccc3)C2=O)NC1=O)OCc1ccccc1

Formula: C23H22N4O5

MW: 434.45 | LogP: 0.82

TPSA: 116.84

Patterns:

Ester
Detail
ID 3958 DB demo
2D structure

ulfkktlib_1132

ID 3958

CC1(C)OC(=O)C(C(=O)CNC(=O)CNC(=O)OCc2ccccc2)C(=O)O1

Formula: C18H20N2O8

MW: 392.36 | LogP: 0.05

TPSA: 137.10

Patterns:

Ester
Detail
ID 4811 DB demo
2D structure

Z1501485359

ID 4811

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(C[NH+](C)C)c(O)ccc3nc2-1

Formula: C23H24N3O5+

MW: 422.46 | LogP: 0.43

TPSA: 106.09

Patterns:

Ester
Detail
ID 5446 DB demo
2D structure

ulfkktlib_135

ID 5446

CCCCOC(=O)[C@@H]1C/C(=C\Nc2ccc(O)cc2)C(=O)N1C(=O)OC(C)(C)C

Formula: C21H28N2O6

MW: 404.46 | LogP: 3.57

TPSA: 105.17

Patterns:

Ester
Detail
ID 5534 DB demo
2D structure

OSA_Lib_54

ID 5534

[NH3+]CC(=O)O[C@@H]1C[C@]2([NH+]3CCCC3)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2

Formula: C26H34N2O2+2

MW: 406.57 | LogP: 1.94

TPSA: 58.38

Patterns:

Ester
Detail