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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Results

21 results for Pattern / motif query
Pattern / motif 21 results DB Docking_panel_21
Selected 0
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Query interpretation
Pattern registry Vnos: cinnoline Cinnoline
ID 27 DB Docking_panel_21
2D structure

Z44851564

ID 27

Cc1[nH]c2ccccc2c1/C=N/Nc1nncc2ccccc12

Formula: C18H15N5

MW: 301.35 | LogP: 3.87

TPSA: 65.96

Patterns:

Cinnoline
Detail
ID 254 DB Docking_panel_21
2D structure

Z56781211

ID 254

Oc1ccc2ccccc2c1/C=N\Nc1nnc(-c2ncc[nH]2)c2ccccc12

Formula: C22H16N6O

MW: 380.41 | LogP: 4.32

TPSA: 99.08

Patterns:

Cinnoline
Detail
ID 826 DB Docking_panel_21
2D structure

OHD_TC1_122

ID 826

c1ccc2c(NCCc3c[nH]cn3)nncc2c1

Formula: C13H13N5

MW: 239.28 | LogP: 2.01

TPSA: 66.49

Patterns:

Cinnoline
Detail
ID 959 DB Docking_panel_21
2D structure

Z56781211

ID 959

Oc1ccc2ccccc2c1/C=N/Nc1nnc(-c2ncc[nH]2)c2ccccc12

Formula: C22H16N6O

MW: 380.41 | LogP: 4.32

TPSA: 99.08

Patterns:

Cinnoline
Detail
ID 1126 DB Docking_panel_21
2D structure

OHD_TC1_122

ID 1126

c1ccc2c(NCCc3c[nH]c[nH+]3)[nH+]ncc2c1

Formula: C13H15N5+2

MW: 241.30 | LogP: 0.85

TPSA: 68.99

Patterns:

Cinnoline
Detail
ID 1180 DB Docking_panel_21
2D structure

Z44851526

ID 1180

C(=N/Nc1n[nH+]cc2ccccc12)/c1cccc[nH+]1

Formula: C14H13N5+2

MW: 251.29 | LogP: 1.31

TPSA: 65.56

Patterns:

Cinnoline
Detail
ID 1296 DB Docking_panel_21
2D structure

OHD_Leishmania_486

ID 1296

c1ccc2c(NCCc3c[nH]c[nH+]3)nncc2c1

Formula: C13H14N5+

MW: 240.29 | LogP: 1.43

TPSA: 67.74

Patterns:

Cinnoline
Detail
ID 1314 DB Docking_panel_21
2D structure

Z44851564

ID 1314

Cc1[nH]c2ccccc2c1/C=N\Nc1nncc2ccccc12

Formula: C18H15N5

MW: 301.35 | LogP: 3.87

TPSA: 65.96

Patterns:

Cinnoline
Detail
ID 1396 DB Docking_panel_21
2D structure

Z89541367

ID 1396

C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)CCCC2

Formula: C22H23N3O2

MW: 361.45 | LogP: 3.22

TPSA: 74.85

Patterns:

Cinnoline
Detail
ID 1397 DB Docking_panel_21
2D structure

Z44852102

ID 1397

CN(CCO)c1ccc(/C=N/Nc2nncc3ccccc23)cc1

Formula: C18H19N5O

MW: 321.38 | LogP: 2.50

TPSA: 73.64

Patterns:

Cinnoline
Detail
ID 1428 DB Docking_panel_21
2D structure

ulfkktlib_1062

ID 1428

COC(=O)[C@H](C/C=N/Nc1nnc(Cl)c2ccccc12)NC(=O)C(F)(F)F

Formula: C15H13ClF3N5O3

MW: 403.75 | LogP: 2.29

TPSA: 105.57

Patterns:

Cinnoline
Detail
ID 1581 DB Docking_panel_21
2D structure

Z44851564

ID 1581

Cc1[nH]c2ccccc2c1/C=[NH+]\Nc1nncc2ccccc12

Formula: C18H16N5+

MW: 302.36 | LogP: 1.95

TPSA: 67.57

Patterns:

Cinnoline
Detail
ID 1688 DB Docking_panel_21
2D structure

Z226217786

ID 1688

O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(N2CCOCC2)nc1

Formula: C20H21N5O3

MW: 379.42 | LogP: 1.01

TPSA: 100.21

Patterns:

Cinnoline
Detail
ID 1882 DB Docking_panel_21
2D structure

Z26973046

ID 1882

O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCC(c2nc3ccccc3o2)CC1

Formula: C28H24N4O3

MW: 464.53 | LogP: 4.61

TPSA: 81.23

Patterns:

Cinnoline
Detail
ID 2187 DB Docking_panel_21
2D structure

Z73416904

ID 2187

O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1

Formula: C21H22N4O5S

MW: 442.50 | LogP: 0.80

TPSA: 121.46

Patterns:

Cinnoline
Detail
ID 2228 DB Docking_panel_21
2D structure

Z89541367

ID 2228

C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)CCCC2

Formula: C22H23N3O2

MW: 361.45 | LogP: 3.22

TPSA: 74.85

Patterns:

Cinnoline
Detail
ID 2669 DB Docking_panel_21
2D structure

Z226217786

ID 2669

O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(N2CCOCC2)[nH+]c1

Formula: C20H22N5O3+

MW: 380.43 | LogP: 0.43

TPSA: 101.46

Patterns:

Cinnoline
Detail
ID 3050 DB Docking_panel_21
2D structure

Z57020799

ID 3050

CSCC[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1[nH]c2ccccc2[nH+]1

Formula: C21H22N5O2S+

MW: 408.51 | LogP: 2.45

TPSA: 93.92

Patterns:

Cinnoline
Detail
ID 3115 DB Docking_panel_21
2D structure

Z56781211

ID 3115

Oc1ccc2ccccc2c1/C=[NH+]\Nc1nnc(-c2ncc[nH]2)c2ccccc12

Formula: C22H17N6O+

MW: 381.42 | LogP: 2.41

TPSA: 100.69

Patterns:

Cinnoline
Detail
ID 3143 DB Docking_panel_21
2D structure

Z87528231

ID 3143

COc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1

Formula: C18H17N3O3

MW: 323.35 | LogP: 2.12

TPSA: 73.22

Patterns:

Cinnoline
Detail
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