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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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6 results for Pattern / motif query
Pattern / motif 6 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: hypoxanthine Hypoxanthine
ID 304 DB Docking_panel_21
2D structure

Z238920910

ID 304

Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(Cc3ccccc3)CC1)n2Cc1ccccc1

Formula: C25H27N5O2

MW: 429.52 | LogP: 2.93

TPSA: 75.92

Patterns:

Hypoxanthine
Detail
ID 539 DB Docking_panel_21
2D structure

OHD_TB2022_30

ID 539

Nc1nc2c(ncn2C[C@@H](COCP(=O)(O)O)OC[C@H](O)CO)c(=O)[nH]1

Formula: C12H20N5O8P

MW: 393.29 | LogP: -2.41

TPSA: 206.04

Patterns:

Hypoxanthine
Detail
ID 695 DB Docking_panel_21
2D structure

OHD_TB2022_31

ID 695

Nc1nc2c(ncn2C[C@H](COCP(=O)(O)O)OCCCP(=O)(O)O)c(=O)[nH]1

Formula: C12H21N5O9P2

MW: 441.27 | LogP: -1.19

TPSA: 223.11

Patterns:

Hypoxanthine
Detail
ID 1278 DB Docking_panel_21
2D structure

OHD_TB2022_32

ID 1278

Nc1nc2c(ncn2C[C@@H](COCP(=O)(O)O)OC[C@@H](O)P(=O)(O)O)c(=O)[nH]1

Formula: C11H19N5O10P2

MW: 443.25 | LogP: -2.27

TPSA: 243.34

Patterns:

Hypoxanthine
Detail
ID 1948 DB Docking_panel_21
2D structure

Z50137015

ID 1948

CCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1

Formula: C24H26N4O5

MW: 450.50 | LogP: 3.04

TPSA: 100.37

Patterns:

Hypoxanthine
Detail
ID 1957 DB Docking_panel_21
2D structure

Z50138312

ID 1957

Cn1c(-c2cccc(OCc3ccccc3)c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1

Formula: C26H22N4O3

MW: 438.49 | LogP: 3.72

TPSA: 81.91

Patterns:

Hypoxanthine
Detail