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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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11 results for Pattern / motif query
Pattern / motif 11 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: quinoxaline Quinoxaline
ID 63 DB Docking_panel_21
2D structure

Z1020850360

ID 63

CCCCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21

Formula: C21H23N5OS

MW: 393.52 | LogP: 4.35

TPSA: 85.83

Patterns:

Quinoxaline
Detail
ID 91 DB Docking_panel_21
2D structure

Z108563960

ID 91

O=c1[nH]c2ccccc2nc1-c1ccccc1NS(=O)(=O)c1ccccc1

Formula: C20H15N3O3S

MW: 377.43 | LogP: 3.39

TPSA: 91.92

Patterns:

Quinoxaline
Detail
ID 243 DB Docking_panel_21
2D structure

Z56948577

ID 243

O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc2ccccc2c1

Formula: C18H12ClN3O2S

MW: 369.83 | LogP: 4.24

TPSA: 71.95

Patterns:

Quinoxaline
Detail
ID 1418 DB Docking_panel_21
2D structure

OHD_Babesia_31

ID 1418

C[n+]1c2ccccc2nc2ccc(NCCO)cc21

Formula: C15H16N3O+

MW: 254.31 | LogP: 1.62

TPSA: 49.03

Patterns:

Quinoxaline
Detail
ID 1972 DB Docking_panel_21
2D structure

OHD_TB2020_10

ID 1972

O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1cccc2nccnc12

Formula: C26H23N3O3S

MW: 457.56 | LogP: 4.35

TPSA: 89.02

Patterns:

Quinoxaline
Detail
ID 1999 DB Docking_panel_21
2D structure

Z56787095

ID 1999

O=[N+](O)c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1

Formula: C25H25N6O6S2+

MW: 569.65 | LogP: 4.15

TPSA: 161.67

Patterns:

Quinoxaline
Detail
ID 2057 DB Docking_panel_21
2D structure

Z56775484

ID 2057

COc1cccc(Nc2nc3ccccc3[nH]/c2=N\S(=O)(=O)c2cccs2)c1

Formula: C19H16N4O3S2

MW: 412.50 | LogP: 3.67

TPSA: 96.44

Patterns:

Quinoxaline
Detail
ID 2157 DB Docking_panel_21
2D structure

Z56775819

ID 2157

N#Cc1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12

Formula: C17H12N6O2S

MW: 364.39 | LogP: 1.67

TPSA: 140.68

Patterns:

Quinoxaline
Detail
ID 2752 DB Docking_panel_21
2D structure

Z31183768

ID 2752

Cc1noc(C)c1CSc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1

Formula: C20H17ClN4O3S2

MW: 460.97 | LogP: 4.98

TPSA: 97.98

Patterns:

Quinoxaline
Detail
ID 2774 DB Docking_panel_21
2D structure

Z2037279473

ID 2774

CC(C)Nc1cc2c(cc1Nc1ccc(Cl)cc1)nc1ccccc1[n+]2-c1ccc(Cl)cc1

Formula: C27H23Cl2N4+

MW: 474.42 | LogP: 7.54

TPSA: 40.83

Patterns:

Quinoxaline
Detail
ID 3385 DB Docking_panel_21
2D structure

OHD_Leishmania_179

ID 3385

c1cc2cccc3c4cc5n[n+]6c7ccccc7n7cccc7c6cc5cc4c(c1)c23

Formula: C28H16N3+

MW: 394.46 | LogP: 6.28

TPSA: 21.40

Patterns:

Quinoxaline
Detail