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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 22 results

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22 results for Pattern / motif query

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Pattern / motif 22 results DB demo

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Query interpretation

Pattern registry Vnos: pyridine Pyridine

Select ID 155 DB demo

OHD_TB2020_34

ID 155

CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3ccc(Cl)nc3[nH]2)c1=O

Formula: C20H19Cl2N5O2

MW: 432.31 | LogP: 3.90

TPSA: 77.73

Patterns:

Pyridine

Detail

Select ID 274 DB demo

OHD_TB2020_31

ID 274

O=c1n(Cc2nc3ccc(Cl)nc3[nH]2)cc(Cc2ccc(Cl)cc2Cl)n1CC(F)F

Formula: C19H14Cl3F2N5O

MW: 472.71 | LogP: 4.79

TPSA: 68.50

Patterns:

Pyridine

Detail

Select ID 386 DB demo

Z44847963

ID 386

O/C(=N\N=C/c1ccc(O)c(O)c1)c1ccc(CSc2cccc3cccnc23)cc1

Formula: C24H19N3O3S

MW: 429.50 | LogP: 5.28

TPSA: 98.30

Patterns:

Pyridine

Detail

Select ID 554 DB demo

KB_Leish_39

ID 554

CC[N@@H+](Cc1nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2[nH]1)[C@H]1CCCc2cccnc21

Formula: C28H33N8O+

MW: 497.63 | LogP: 2.19

TPSA: 95.34

Patterns:

Pyridine

Detail

Select ID 558 DB demo

OHD_Leishmania_480

ID 558

O=C(c1cccnc1)N1N=C(c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C[C@@H]1c1cccnc1

Formula: C26H19Cl2N5O3S

MW: 552.44 | LogP: 5.58

TPSA: 104.62

Patterns:

Pyridine

Detail

Select ID 1140 DB demo

Z30002984

ID 1140

O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12

Formula: C27H20FN3O4S

MW: 501.54 | LogP: 5.36

TPSA: 101.30

Patterns:

Pyridine

Detail

Select ID 1266 DB demo

Z44426342

ID 1266

Cc1ccc(NC(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cn(-c3ccc(C)cc3C)c2=O)c(C)c1

Formula: C29H25ClN2O4

MW: 500.98 | LogP: 5.91

TPSA: 88.40

Patterns:

Pyridine

Detail

Select ID 1338 DB demo

Z68347375

ID 1338

O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1O

Formula: C22H16N4O3

MW: 384.40 | LogP: 3.08

TPSA: 104.21

Patterns:

Pyridine

Detail

Select ID 1399 DB demo

OHD_TC1_194

ID 1399

COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC

Formula: C30H32N4O5S

MW: 560.68 | LogP: 4.23

TPSA: 101.40

Patterns:

Pyridine

Detail

Select ID 1451 DB demo

Z1521554012

ID 1451

O=C(O)c1cc(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O

Formula: C18H14N4O5S

MW: 398.40 | LogP: 3.70

TPSA: 141.31

Patterns:

Pyridine

Detail

Select ID 1752 DB demo

Z44425700

ID 1752

COc1ccc(O)c(C(=O)c2cnn(-c3ccccn3)c2)c1

Formula: C16H13N3O3

MW: 295.30 | LogP: 2.21

TPSA: 77.24

Patterns:

Pyridine

Detail

Select ID 1805 DB demo

KB_HAT_192

ID 1805

O=[S@@]1N=C(NCCCN(Cc2ccc(F)cc2)c2ccccn2)/C(=N/Cc2ccncc2)N1

Formula: C23H24FN7OS

MW: 465.56 | LogP: 2.78

TPSA: 94.87

Patterns:

Pyridine

Detail

Select ID 1973 DB demo

ulfkktlib_1973

ID 1973

COC(=O)c1cn(-c2ncccc2O)c(=O)cc1O

Formula: C12H10N2O5

MW: 262.22 | LogP: 0.43

TPSA: 101.65

Patterns:

Pyridine

Detail

Select ID 2100 DB demo

KB_Leish_47

ID 2100

Oc1c(-c2nc(Cc3ccc(Cl)cc3)n[nH]2)ncc2cccnc12

Formula: C17H12ClN5O

MW: 337.77 | LogP: 3.36

TPSA: 87.58

Patterns:

Pyridine

Detail

Select ID 2118 DB demo

ulfkktlib_2881

ID 2118

NN/C(O)=C(\C(=O)c1ccccc1)c1ccc2ccccc2n1

Formula: C18H15N3O2

MW: 305.34 | LogP: 2.81

TPSA: 88.24

Patterns:

Pyridine

Detail

Select ID 3036 DB demo

KB_chagas_54

ID 3036

O=c1cc(NCCCN[C@H]2CCOc3c(I)cc(Cl)cc32)[nH]c2ccccc12

Formula: C21H21ClIN3O2

MW: 509.78 | LogP: 4.70

TPSA: 66.15

Patterns:

Pyridine

Detail

Select ID 3052 DB demo

KB_chagas_52

ID 3052

COc1ccc2nccc([C@H](O)CN3CC[C@H](NC(=O)c4ccc(Br)cc4)[C@@H](O)C3)c2n1

Formula: C23H25BrN4O4

MW: 501.38 | LogP: 2.30

TPSA: 107.81

Patterns:

Pyridine

Detail

Select ID 3758 DB demo

Z56174682

ID 3758

Oc1c([C@H](Nc2nccs2)c2ccccn2)ccc2cccnc12

Formula: C18H14N4OS

MW: 334.40 | LogP: 3.99

TPSA: 70.93

Patterns:

Pyridine

Detail

Select ID 4811 DB demo

Z1501485359

ID 4811

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(C[NH+](C)C)c(O)ccc3nc2-1

Formula: C23H24N3O5+

MW: 422.46 | LogP: 0.43

TPSA: 106.09

Patterns:

Pyridine

Detail

Select ID 5037 DB demo

OHD_TC1_70

ID 5037

FC(F)(F)c1cccc(/C=C/c2nc3ccccc3n2CNc2cccnc2)c1

Formula: C22H17F3N4

MW: 394.40 | LogP: 5.69

TPSA: 42.74

Patterns:

Pyridine

Detail

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