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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 111 results

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111 results for Pattern / motif query

Cards

Pattern / motif 111 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: benzimidazole Benzimidazole

Select ID 1 DB Docking_panel_21

Z53787229

ID 1

Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2[nH]1

Formula: C18H15N3OS

MW: 321.41 | LogP: 4.33

TPSA: 61.54

Patterns:

Benzimidazole

Detail

Select ID 34 DB Docking_panel_21

Z215393742

ID 34

c1ccc2[nH]c(CSc3ncnc4c3oc3ccccc34)nc2c1

Formula: C18H12N4OS

MW: 332.39 | LogP: 4.54

TPSA: 67.60

Patterns:

Benzimidazole

Detail

Select ID 97 DB Docking_panel_21

KB_Leish_38

ID 97

C[N@@H+](Cc1nc2ccc(C(=O)NCC3CCCCC3)cc2[nH]1)[C@H]1CCCc2cccnc21

Formula: C26H34N5O+

MW: 432.59 | LogP: 3.36

TPSA: 75.11

Patterns:

Benzimidazole

Detail

Select ID 119 DB Docking_panel_21

Z56908735

ID 119

Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1cccc(Cl)c1

Formula: C23H18ClN5S

MW: 431.95 | LogP: 5.94

TPSA: 72.52

Patterns:

Benzimidazole

Detail

Select ID 140 DB Docking_panel_21

Z56964630

ID 140

Clc1cccc(N/N=C(/Cc2nc3ccccc3[nH]2)c2ccccc2)c1

Formula: C21H17ClN4

MW: 360.85 | LogP: 5.28

TPSA: 53.07

Patterns:

Benzimidazole

Detail

Select ID 250 DB Docking_panel_21

KB_Leish_188

ID 250

CN(Cc1nc2cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2[nH]1)[C@H]1CCCc2cccnc21

Formula: C30H35N6O+

MW: 495.65 | LogP: 3.01

TPSA: 69.56

Patterns:

Benzimidazole

Detail

Select ID 325 DB Docking_panel_21

KB_Leish_39

ID 325

CCN(Cc1[nH]c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2[nH+]1)[C@H]1CCCc2cccnc21

Formula: C28H33N8O+

MW: 497.63 | LogP: 3.03

TPSA: 95.39

Patterns:

Benzimidazole

Detail

Select ID 491 DB Docking_panel_21

Z30884280

ID 491

O=C(CSCc1nc2ccccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1

Formula: C20H21ClN4OS

MW: 400.94 | LogP: 3.80

TPSA: 52.23

Patterns:

Benzimidazole

Detail

Select ID 507 DB Docking_panel_21

Z56773052

ID 507

N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)s2)cc1)c1nc2ccccc2[nH]1

Formula: C21H12ClN3O2S

MW: 405.87 | LogP: 5.56

TPSA: 78.77

Patterns:

Benzimidazole

Detail

Select ID 579 DB Docking_panel_21

Z126938578

ID 579

O=C(c1ccc2c(c1)OCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

Formula: C20H19N3O4

MW: 365.39 | LogP: 2.54

TPSA: 76.56

Patterns:

Benzimidazole

Detail

Select ID 584 DB Docking_panel_21

KB_Leish_175

ID 584

Cc1ccc(Nc2nc(N)nc(C[NH2+][C@@H](c3nc4ccccc4[nH]3)C(C)C)n2)cc1

Formula: C22H27N8+

MW: 403.51 | LogP: 2.84

TPSA: 122.01

Patterns:

Benzimidazole

Detail

Select ID 587 DB Docking_panel_21

Z241910386

ID 587

O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

Formula: C28H30F2N3O+

MW: 462.56 | LogP: 4.44

TPSA: 42.23

Patterns:

Benzimidazole

Detail

Select ID 588 DB Docking_panel_21

Z56772918

ID 588

N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)s2)cc1)c1nc2ccccc2[nH]1

Formula: C21H12BrN3O2S

MW: 450.32 | LogP: 5.67

TPSA: 78.77

Patterns:

Benzimidazole

Detail

Select ID 624 DB Docking_panel_21

Z223039568

ID 624

COc1ccc2[nH]c(SCC(=O)Nc3ccccc3Cl)nc2c1

Formula: C16H14ClN3O2S

MW: 347.83 | LogP: 3.96

TPSA: 67.01

Patterns:

Benzimidazole

Detail

Select ID 632 DB Docking_panel_21

KB_Leish_38

ID 632

C[N@@H+](Cc1nc2ccc(C(=O)NCC3CCCCC3)cc2[nH]1)[C@@H]1CCCc2cccnc21

Formula: C26H34N5O+

MW: 432.59 | LogP: 3.36

TPSA: 75.11

Patterns:

Benzimidazole

Detail

Select ID 699 DB Docking_panel_21

KB_Leish_188

ID 699

C[N@H+](Cc1nc2c(C(=O)N3CCN(Cc4ccccc4)CC3)cccc2[nH]1)[C@@H]1CCCc2cccnc21

Formula: C30H35N6O+

MW: 495.65 | LogP: 3.01

TPSA: 69.56

Patterns:

Benzimidazole

Detail

Select ID 790 DB Docking_panel_21

Z19649686

ID 790

Clc1ccc(OCCSc2nc3ccccc3[nH]2)cc1

Formula: C15H13ClN2OS

MW: 304.80 | LogP: 4.39

TPSA: 37.91

Patterns:

Benzimidazole

Detail

Select ID 799 DB Docking_panel_21

OHD_Babesia_38

ID 799

Oc1ccc(Cl)cc1CNc1nc2ccccc2[nH]1

Formula: C14H12ClN3O

MW: 273.72 | LogP: 3.53

TPSA: 60.94

Patterns:

Benzimidazole

Detail

Select ID 808 DB Docking_panel_21

Z57369985

ID 808

Cc1cc2[nH+]cn(CCCCOc3ccccc3)c2cc1C

Formula: C19H23N2O+

MW: 295.41 | LogP: 3.93

TPSA: 28.30

Patterns:

Benzimidazole

Detail

Select ID 813 DB Docking_panel_21

Z44868759

ID 813

Oc1ccc(Br)cc1/C=N\Nc1nc2ccccc2[nH]1

Formula: C14H11BrN4O

MW: 331.17 | LogP: 3.48

TPSA: 73.30

Patterns:

Benzimidazole

Detail

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