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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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14 results for Pattern / motif query
Pattern / motif 14 results DB fairmol
Selected 0
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Query interpretation
Pattern registry Vnos: hypoxanthine Hypoxanthine
ID 555 DB fairmol
2D structure

OHD_TB2022_32

ID 555

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 975 DB fairmol
2D structure

Z238920910

ID 975

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 1316 DB fairmol
2D structure

OHD_TB2022_31

ID 1316

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 1443 DB fairmol
2D structure

OHD_TB2022_30

ID 1443

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 1503 DB fairmol
2D structure

NMT-TY0171

ID 1503

O=c1[nH]c2nc(SCc3ccccc3)[nH]c(=O)c2[nH]1

Formula: C12H10N4O2S

MW: 274.31 | LogP: 1.23

TPSA: 94.40

Patterns:

Hypoxanthine
Detail
ID 1523 DB fairmol
2D structure

Z1546616193

ID 1523

O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1

Formula: C10H12N4O3

MW: 236.23 | LogP: -0.21

TPSA: 93.03

Patterns:

Hypoxanthine
Detail
ID 1535 DB fairmol
2D structure

NMT-TY0203

ID 1535

O=c1[nH]c(=S)[nH]c2nc[nH]c12

Formula: C5H4N4OS

MW: 168.18 | LogP: 0.31

TPSA: 77.33

Patterns:

Hypoxanthine
Detail
ID 1716 DB fairmol
2D structure

Z1546610471

ID 1716

Nc1nc2c(ncn2COCCO)c(=O)[nH]1

Formula: C8H11N5O3

MW: 225.21 | LogP: -1.33

TPSA: 119.05

Patterns:

Hypoxanthine
Detail
ID 1804 DB fairmol
2D structure

Z594284200

ID 1804

Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1

Formula: C9H13N5O4

MW: 255.23 | LogP: -1.97

TPSA: 139.28

Patterns:

Hypoxanthine
Detail
ID 2128 DB fairmol
2D structure

OHD_TB2022_30

ID 2128

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 2556 DB fairmol
2D structure

Z50138312

ID 2556

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

Formula: C26H22N4O3

MW: 438.49 | LogP: 3.72

TPSA: 81.91

Patterns:

Hypoxanthine
Detail
ID 2684 DB fairmol
2D structure

Z239091186

ID 2684

CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1

Formula: C20H26N4O2S

MW: 386.52 | LogP: 3.19

TPSA: 72.68

Patterns:

Hypoxanthine
Detail
ID 2958 DB fairmol
2D structure

Z223843964

ID 2958

C=CCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

Formula: C18H20N4O2S

MW: 356.45 | LogP: 2.33

TPSA: 72.68

Patterns:

Hypoxanthine
Detail
ID 5571 ★ Native ligand DB fairmol
2D structure

RAB5A

ID 5571

Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1

Formula: C10H12N5O11P2-3

MW: 440.18 | LogP: -4.35

TPSA: 261.06

Patterns:

Hypoxanthine
Detail