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Jasen preklop med dedupliciranimi compounds in posameznimi samples.

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Regex Pattern / motif 16 results

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16 results for Pattern / motif query

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Pattern / motif 16 results DB demo

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Query interpretation

Pattern registry Vnos: peptidomimetic_n_methyl N-Methyl amide

Select ID 219 DB demo

Z29514151

ID 219

Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)coc2c1

Formula: C23H24N2O6S

MW: 456.52 | LogP: 2.59

TPSA: 89.29

Patterns:

N-Methyl amide

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:

N-Methyl amide

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:

N-Methyl amide

Detail

Select ID 703 DB demo

OHD_Leishmania_257

ID 703

C[NH2+]CCNC(=O)CN1C(=O)Cc2c([nH]c3ccc(Cl)cc23)-c2ccc(Cl)cc21

Formula: C21H21Cl2N4O2+

MW: 432.33 | LogP: 2.34

TPSA: 81.81

Patterns:

N-Methyl amide

Detail

Select ID 1121 DB demo

Z16382399

ID 1121

CCN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)[C@H]1CCS(=O)(=O)C1

Formula: C19H21N5O3S2

MW: 431.54 | LogP: 1.94

TPSA: 98.05

Patterns:

N-Methyl amide

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:

N-Methyl amide

Detail

Select ID 1807 DB demo

Z56811592

ID 1807

CN(C)c1ccc(/C=C2\SC(=O)N(CCc3nnc(N)s3)C2=O)cc1

Formula: C16H17N5O2S2

MW: 375.48 | LogP: 2.47

TPSA: 92.42

Patterns:

N-Methyl amide

Detail

Select ID 1929 DB demo

Z31287542

ID 1929

O=C1/C(=C\N/N=C(\O)[C@H]2COc3ccccc3O2)c2ccccc2C(=O)N1c1ccccc1Cl

Formula: C25H18ClN3O5

MW: 475.89 | LogP: 4.17

TPSA: 100.46

Patterns:

N-Methyl amide

Detail

Select ID 2876 DB demo

Z166606608

ID 2876

O=C1CCC(=O)N1c1cc(Cc2[nH+]nc(O)c3ccccc23)ccc1F

Formula: C19H15FN3O3+

MW: 352.35 | LogP: 2.14

TPSA: 84.64

Patterns:

N-Methyl amide

Detail

Select ID 3099 DB demo

Z28652141

ID 3099

O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O

Formula: C24H14ClFN4O3S2

MW: 524.99 | LogP: 5.68

TPSA: 92.26

Patterns:

N-Methyl amide

Detail

Select ID 3778 DB demo

MK15

ID 3778

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCC[NH+]1CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC1)O2

Formula: C29H38N3O6+

MW: 524.64 | LogP: 1.37

TPSA: 123.77

Patterns:

N-Methyl amide

Detail

Select ID 3794 DB demo

Z95963339

ID 3794

C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1

Formula: C22H22N2O3S

MW: 394.50 | LogP: 4.32

TPSA: 66.48

Patterns:

N-Methyl amide

Detail

Select ID 5180 DB demo

KB_chagas_167

ID 5180

CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)c1

Formula: C19H22N5O2+

MW: 352.42 | LogP: 1.94

TPSA: 84.39

Patterns:

N-Methyl amide

Detail

Select ID 5243 DB demo

Z432415022

ID 5243

Cc1nn2c(N3CCN(C(=O)c4ccco4)CC3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1

Formula: C26H28ClN5O2

MW: 478.00 | LogP: 5.21

TPSA: 66.88

Patterns:

N-Methyl amide

Detail

Select ID 5304 DB demo

OHD_DCM_44

ID 5304

O=C1c2cccc3c(N4CCNCC4)ccc(c23)C(=O)N1c1ccc2c(c1)OCCOCCOCCOCCO2

Formula: C30H33N3O7

MW: 547.61 | LogP: 2.87

TPSA: 98.80

Patterns:

N-Methyl amide

Detail

Select ID 5446 DB demo

ulfkktlib_135

ID 5446

CCCCOC(=O)[C@@H]1C/C(=C\Nc2ccc(O)cc2)C(=O)N1C(=O)OC(C)(C)C

Formula: C21H28N2O6

MW: 404.46 | LogP: 3.57

TPSA: 105.17

Patterns:

N-Methyl amide

Detail