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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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14 results for Pattern / motif query
Pattern / motif 14 results DB Docking_panel_21
Selected 0
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Query interpretation
Pattern registry Vnos: imidazolidine Imidazolidine
ID 275 DB Docking_panel_21
2D structure

Z25716555

ID 275

C[C@H]1CC[C@]2(CC1)NC(=O)N(CC(=O)Nc1sc3c(c1C(N)=O)CCC3)C2=O

Formula: C19H24N4O4S

MW: 404.49 | LogP: 1.77

TPSA: 121.60

Patterns:

ID 401 DB Docking_panel_21
2D structure

TC228

ID 401

C[C@]12CC[C@H](O)CC1=C/C(=N/OCCCCn1cc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn1)[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@@H]12

Formula: C36H53N7O5S

MW: 695.93 | LogP: 4.28

TPSA: 159.83

Patterns:

ID 486 DB Docking_panel_21
2D structure

Z26394837

ID 486

O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCc1c[nH]c2ccccc12

Formula: C20H24N4O3

MW: 368.44 | LogP: 2.08

TPSA: 94.30

Patterns:

ID 658 DB Docking_panel_21
2D structure

Z14242918

ID 658

C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(=O)Nc1ccc3c(c1)OCCO3)C2=O

Formula: C20H24N4O6

MW: 416.43 | LogP: 1.61

TPSA: 126.07

Patterns:

ID 707 DB Docking_panel_21
2D structure

Z56870716

ID 707

CCOc1cc(/C=C2\NC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O

Formula: C23H22N4O4S

MW: 450.52 | LogP: 2.85

TPSA: 88.73

Patterns:

ID 1209 DB Docking_panel_21
2D structure

Z16202474

ID 1209

CCOc1ccc(OCCN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1

Formula: C22H23N3O4

MW: 393.44 | LogP: 3.11

TPSA: 83.66

Patterns:

ID 1678 DB Docking_panel_21
2D structure

Z25403655

ID 1678

O=C(CSc1nnc(Nc2ccccc2)s1)NN1C(=O)NC2(CCCCC2)C1=O

Formula: C18H20N6O3S2

MW: 432.53 | LogP: 2.66

TPSA: 116.32

Patterns:

ID 1981 DB Docking_panel_21
2D structure

TC265

ID 1981

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]31)[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21O[C@@H]1CO

Formula: C39H61N5O9S

MW: 776.01 | LogP: 2.41

TPSA: 192.37

Patterns:

ID 2151 DB Docking_panel_21
2D structure

OHD_TB2023_2

ID 2151

O=C(Nc1ccc(N=C2NCCN2)c(Cl)c1)c1ccc(NC2=[NH+]CCN2)c(Cl)c1

Formula: C19H20Cl2N7O+

MW: 433.32 | LogP: 0.88

TPSA: 103.55

Patterns:

ID 2200 DB Docking_panel_21
2D structure

Z218897634

ID 2200

Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(N5CCNC5=O)cc4)CC3)c2c1C

Formula: C23H26N6O2S

MW: 450.57 | LogP: 3.69

TPSA: 90.46

Patterns:

ID 2432 DB Docking_panel_21
2D structure

Z16335620

ID 2432

COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCC3=CCCCC3)C2=O)cc1OC

Formula: C22H29N3O5

MW: 415.49 | LogP: 2.48

TPSA: 96.97

Patterns:

ID 3162 DB Docking_panel_21
2D structure

Z25716555

ID 3162

C[C@H]1CC[C@@]2(CC1)NC(=O)N(C/C(O)=N/c1sc3c(c1C(N)=O)CCC3)C2=O

Formula: C19H24N4O4S

MW: 404.49 | LogP: 2.42

TPSA: 125.09

Patterns:

ID 3280 DB Docking_panel_21
2D structure

TC228

ID 3280

C[C@]12CC[C@H](O)CC1=C/C(=N/OCCCCn1cc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

Formula: C36H53N7O5S

MW: 695.93 | LogP: 4.28

TPSA: 159.83

Patterns:

ID 3312 DB Docking_panel_21
2D structure

Z25747797

ID 3312

C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1sc3c(c1C(N)=O)CCC3)C2=O

Formula: C19H24N4O4S

MW: 404.49 | LogP: 1.77

TPSA: 121.60

Patterns: