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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 934 results

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934 results for Pattern / motif query

Cards

Pattern / motif 934 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: aryl_ether Aryl ether

Select ID 3 DB Docking_panel_21

MK151

ID 3

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)O2

Formula: C23H27N3O4

MW: 409.49 | LogP: 3.80

TPSA: 100.63

Patterns:

Aryl ether

Detail

Select ID 5 DB Docking_panel_21

OHD_TB2020_34

ID 5

CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O

Formula: C20H19Cl2N5O2

MW: 432.31 | LogP: 3.90

TPSA: 77.73

Patterns:

Aryl ether

Detail

Select ID 11 DB Docking_panel_21

OHD_TbNat_17

ID 11

COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(O)c(OC)c2)ccc1O

Formula: C21H20O6

MW: 368.39 | LogP: 3.85

TPSA: 96.22

Patterns:

Aryl ether

Detail

Select ID 22 DB Docking_panel_21

OHD_TB2022_45

ID 22

COc1cccc(CNC(=O)c2ccc3nc(N)nc(N)c3c2)c1

Formula: C17H17N5O2

MW: 323.36 | LogP: 1.73

TPSA: 116.15

Patterns:

Aryl ether

Detail

Select ID 23 DB Docking_panel_21

MK160

ID 23

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

Aryl ether

Detail

Select ID 29 DB Docking_panel_21

MK214

ID 29

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)O2

Formula: C23H27N3O4

MW: 409.49 | LogP: 3.80

TPSA: 100.63

Patterns:

Aryl ether

Detail

Select ID 32 DB Docking_panel_21

Z1157836593

ID 32

C[C@H](Oc1ccc(Br)cc1)c1nc2c3ccccc3[nH]c(=S)n2n1

Formula: C17H13BrN4OS

MW: 401.29 | LogP: 4.84

TPSA: 55.21

Patterns:

Aryl ether

Detail

Select ID 40 DB Docking_panel_21

OHD_Babesia_62

ID 40

COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2Cl)c1

Formula: C17H18ClN5O2

MW: 359.82 | LogP: 3.08

TPSA: 108.31

Patterns:

Aryl ether

Detail

Select ID 43 DB Docking_panel_21

OHD_TbNat_135

ID 43

COc1cc2ccc(=O)oc2c(OC)c1OC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]12C

Formula: C26H34O6

MW: 442.55 | LogP: 4.96

TPSA: 78.13

Patterns:

Aryl ether

Detail

Select ID 58 DB Docking_panel_21

MK221

ID 58

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCc1cn(CCCc3ccc(O)c(O)c3)nn1)O2

Formula: C26H33N3O4

MW: 451.57 | LogP: 4.67

TPSA: 100.63

Patterns:

Aryl ether

Detail

Select ID 59 DB Docking_panel_21

MK217

ID 59

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1nnc(CCc3ccc(O)c(O)c3)s1)O2

Formula: C23H26N2O4S

MW: 426.54 | LogP: 4.61

TPSA: 95.70

Patterns:

Aryl ether

Detail

Select ID 64 DB Docking_panel_21

TC394

ID 64

Cc1c(C)c2c(c(C)c1O)SC[C@](C)(c1nnc(CCc3ccc(O)c(O)c3)o1)O2

Formula: C22H24N2O5S

MW: 428.51 | LogP: 4.30

TPSA: 108.84

Patterns:

Aryl ether

Detail

Select ID 66 DB Docking_panel_21

TC487

ID 66

Cc1c(C)c2c(c(C)c1O)SC[C@@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)O2

Formula: C22H25N3O4S

MW: 427.53 | LogP: 3.96

TPSA: 100.63

Patterns:

Aryl ether

Detail

Select ID 70 DB Docking_panel_21

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:

Aryl ether

Detail

Select ID 71 DB Docking_panel_21

MK2

ID 71

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCNC(=O)/C=C/c1ccc(O)c(O)c1)O2

Formula: C25H30N2O6

MW: 454.52 | LogP: 2.76

TPSA: 128.12

Patterns:

Aryl ether

Detail

Select ID 77 DB Docking_panel_21

TC393

ID 77

COc1ccc(CCc2nnc([C@]3(C)CSc4c(C)c(O)c(C)c(C)c4O3)o2)cc1OC

Formula: C24H28N2O5S

MW: 456.56 | LogP: 4.90

TPSA: 86.84

Patterns:

Aryl ether

Detail

Select ID 86 DB Docking_panel_21

Z33269755

ID 86

COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1S(=O)(=O)Nc1ccc(Br)cc1

Formula: C22H18BrN3O5S2

MW: 548.44 | LogP: 4.56

TPSA: 113.60

Patterns:

Aryl ether

Detail

Select ID 88 DB Docking_panel_21

MK154

ID 88

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(COCc1cc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C26H31NO6

MW: 453.54 | LogP: 4.80

TPSA: 105.18

Patterns:

Aryl ether

Detail

Select ID 90 DB Docking_panel_21

MK179

ID 90

S=c1cc(-c2ccc(OCCN3CCN(c4ncnc5[nH]cnc45)CC3)cc2)ss1

Formula: C20H20N6OS3

MW: 456.62 | LogP: 4.07

TPSA: 70.17

Patterns:

Aryl ether

Detail

Select ID 96 DB Docking_panel_21

KB_Leish_72

ID 96

Cc1cc2cc(CNc3ccc4c(c3)OCO4)c(=O)n(CCO)c2cc1C

Formula: C21H22N2O4

MW: 366.42 | LogP: 2.95

TPSA: 72.72

Patterns:

Aryl ether

Detail

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