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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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15 results for Pattern / motif query
Pattern / motif 15 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: benzomorpholine Benzomorpholine
ID 70 DB Docking_panel_21
2D structure

TC490

ID 70

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:

ID 133 DB Docking_panel_21
2D structure

TC343

ID 133

Cc1c(C)c(-c2cccc(O)c2)c(C)c2c1O[C@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)CN2

Formula: C28H30N4O4

MW: 486.57 | LogP: 4.95

TPSA: 112.66

Patterns:

ID 300 DB Docking_panel_21
2D structure

Z19223403

ID 300

O=C1COc2ccc(C(=O)CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cc2N1

Formula: C25H18N4O3S

MW: 454.51 | LogP: 4.51

TPSA: 94.07

Patterns:

ID 337 DB Docking_panel_21
2D structure

TC322

ID 337

Cc1cc(C)c2c(c1C)O[C@](C)(COCC(=O)CC(=[NH2+])CCc1ccc(O)c(O)c1)CN2

Formula: C25H33N2O5+

MW: 441.55 | LogP: 2.39

TPSA: 113.61

Patterns:

ID 375 DB Docking_panel_21
2D structure

TC344

ID 375

COc1ccc(CCC(=[NH2+])CC(=O)COC[C@]2(C)CNc3c(C)cc(C)c(C)c3O2)cc1OC

Formula: C27H37N2O5+

MW: 469.60 | LogP: 3.00

TPSA: 91.61

Patterns:

ID 792 DB Docking_panel_21
2D structure

Z114950188

ID 792

O=C1COc2ccc(C(=O)/C=C\c3ccccc3)cc2N1

Formula: C17H13NO3

MW: 279.30 | LogP: 2.91

TPSA: 55.40

Patterns:

ID 927 DB Docking_panel_21
2D structure

Z19836421

ID 927

O=C1COc2ccc(C(=O)COC(=O)/C=C\c3ccc(Br)o3)cc2N1

Formula: C17H12BrNO6

MW: 406.19 | LogP: 2.81

TPSA: 94.84

Patterns:

ID 1105 DB Docking_panel_21
2D structure

Z19836421

ID 1105

O=C1COc2ccc(C(=O)COC(=O)/C=C/c3ccc(Br)o3)cc2N1

Formula: C17H12BrNO6

MW: 406.19 | LogP: 2.81

TPSA: 94.84

Patterns:

ID 1419 DB Docking_panel_21
2D structure

TC288

ID 1419

Cc1cc(C)c2c(c1C)O[C@@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)CN2

Formula: C22H26N4O3

MW: 394.48 | LogP: 3.58

TPSA: 92.43

Patterns:

ID 1492 DB Docking_panel_21
2D structure

TC342

ID 1492

Cc1c(C)c(-c2cccc(O)c2)c(C)c2c1O[C@@](C)(COCc1cn(CCc3ccc(O)c(O)c3)nn1)CN2

Formula: C30H34N4O5

MW: 530.63 | LogP: 5.01

TPSA: 121.89

Patterns:

ID 2127 DB Docking_panel_21
2D structure

TC288

ID 2127

Cc1cc(C)c2c(c1C)O[C@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)CN2

Formula: C22H26N4O3

MW: 394.48 | LogP: 3.58

TPSA: 92.43

Patterns:

ID 2303 DB Docking_panel_21
2D structure

TC322

ID 2303

[H]/N=C(/CCc1ccc(O)c(O)c1)CC(=O)COC[C@@]1(C)CNc2c(C)cc(C)c(C)c2O1

Formula: C25H32N2O5

MW: 440.54 | LogP: 4.21

TPSA: 111.87

Patterns:

ID 2452 DB Docking_panel_21
2D structure

Z56838445

ID 2452

COc1ccccc1/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1C[C@@H]1CCCO1

Formula: C23H23N3O4S

MW: 437.52 | LogP: 3.97

TPSA: 74.08

Patterns:

ID 2781 DB Docking_panel_21
2D structure

TC342

ID 2781

Cc1c(C)c(-c2cccc(O)c2)c(C)c2c1O[C@](C)(COCc1cn(CCc3ccc(O)c(O)c3)nn1)CN2

Formula: C30H34N4O5

MW: 530.63 | LogP: 5.01

TPSA: 121.89

Patterns:

ID 3323 DB Docking_panel_21
2D structure

TC131

ID 3323

Cc1c(C)c(-c2cccc(O)c2)c(C)c2c1O[C@H](c1ccccc1)CN2

Formula: C23H23NO2

MW: 345.44 | LogP: 5.53

TPSA: 41.49

Patterns: