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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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165 results for Pattern / motif query
Pattern / motif 165 results DB fairmol
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Query interpretation
Pattern registry Vnos: pyridazine Pyridazine
ID 30 DB fairmol
2D structure

KB_chagas_205

ID 30

O=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc(Cl)cc1

Formula: C17H13ClN4OS

MW: 356.84 | LogP: 3.92

TPSA: 67.77

Patterns:

Pyridazine
Detail
ID 48 DB fairmol
2D structure

ulfkktlib_1134

ID 48

[NH3+][C@@H](Cc1ccccc1)c1ccnn1-c1ccc(-c2ccccc2)nn1

Formula: C21H20N5+

MW: 342.43 | LogP: 2.86

TPSA: 71.24

Patterns:

Pyridazine
Detail
ID 80 DB fairmol
2D structure

OHD_Leishmania_89

ID 80

Clc1ccc(N2CCC(Nc3ccc4c(N5CCOCC5)n[nH]c4c3)CC2)nn1

Formula: C20H24ClN7O

MW: 413.91 | LogP: 2.92

TPSA: 82.20

Patterns:

Pyridazine
Detail
ID 126 DB fairmol
2D structure

Z56781211

ID 126

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

Formula: C22H17N6O+

MW: 381.42 | LogP: 2.41

TPSA: 100.69

Patterns:

Pyridazine
Detail
ID 173 DB fairmol
2D structure

Z26973046

ID 173

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

Formula: C28H24N4O3

MW: 464.53 | LogP: 4.61

TPSA: 81.23

Patterns:

Pyridazine
Detail
ID 321 DB fairmol
2D structure

KB_HAT_181

ID 321

NS(=O)(=O)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1

Formula: C16H13N7O2S

MW: 367.39 | LogP: 1.58

TPSA: 128.16

Patterns:

Pyridazine
Detail
ID 393 DB fairmol
2D structure

Z19023846

ID 393

O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

Formula: C20H18Cl2N4O4S

MW: 481.36 | LogP: 2.24

TPSA: 92.58

Patterns:

Pyridazine
Detail
ID 686 DB fairmol
2D structure

KB_HAT_182

ID 686

CS(=O)(=O)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1

Formula: C17H14N6O2S

MW: 366.41 | LogP: 2.33

TPSA: 102.14

Patterns:

Pyridazine
Detail
ID 726 DB fairmol
2D structure

ulfkktlib_1378

ID 726

O=C(NCC(=O)N1CC(O)=C(/C=N/Nc2ccc(Cl)nn2)C1=O)OCc1ccccc1

Formula: C19H17ClN6O5

MW: 444.84 | LogP: 1.63

TPSA: 146.11

Patterns:

Pyridazine
Detail
ID 913 DB fairmol
2D structure

Z56781211

ID 913

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

Formula: C22H16N6O

MW: 380.41 | LogP: 4.32

TPSA: 99.08

Patterns:

Pyridazine
Detail
ID 1115 DB fairmol
2D structure

Z28654532

ID 1115

CC(C)n1nc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c2ccccc2c1=O

Formula: C21H17Cl2N5O2S2

MW: 506.44 | LogP: 5.68

TPSA: 89.77

Patterns:

Pyridazine
Detail
ID 1146 DB fairmol
2D structure

OHD_TC1_122

ID 1146

c1ccc2c(NCCc3c[nH]cn3)nncc2c1

Formula: C13H13N5

MW: 239.28 | LogP: 2.01

TPSA: 66.49

Patterns:

Pyridazine
Detail
ID 1147 DB fairmol
2D structure

ulfkktlib_3012

ID 1147

N#Cc1c(-c2ccccc2)cnnc1/N=C/NO

Formula: C12H9N5O

MW: 239.24 | LogP: 1.65

TPSA: 94.19

Patterns:

Pyridazine
Detail
ID 1184 DB fairmol
2D structure

Z44851564

ID 1184

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

Formula: C18H16N5+

MW: 302.36 | LogP: 1.95

TPSA: 67.57

Patterns:

Pyridazine
Detail
ID 1229 DB fairmol
2D structure

Z73416904

ID 1229

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:

Pyridazine
Detail
ID 1313 DB fairmol
2D structure

OHD_Leishmania_486

ID 1313

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

Formula: C13H14N5+

MW: 240.29 | LogP: 1.43

TPSA: 67.74

Patterns:

Pyridazine
Detail
ID 1320 DB fairmol
2D structure

Z49719002

ID 1320

Oc1ccc(/C=N\Nc2ccc(Cl)nn2)c(O)c1O

Formula: C11H9ClN4O3

MW: 280.67 | LogP: 1.69

TPSA: 110.86

Patterns:

Pyridazine
Detail
ID 1357 DB fairmol
2D structure

Z56781211

ID 1357

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

Formula: C22H16N6O

MW: 380.41 | LogP: 4.32

TPSA: 99.08

Patterns:

Pyridazine
Detail
ID 1369 DB fairmol
2D structure

ulfkktlib_3643

ID 1369

OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)c1nnc2ccc(Cl)nn12

Formula: C10H13ClN4O5

MW: 304.69 | LogP: -2.11

TPSA: 144.23

Patterns:

Pyridazine
Detail
ID 1392 DB fairmol
2D structure

KB_chagas_116

ID 1392

CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CCCC[C@@H]2c2cccnc2)nn1

Formula: C24H26FN5O2

MW: 435.50 | LogP: 3.78

TPSA: 71.45

Patterns:

Pyridazine
Detail
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