Compounds

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.

Open analysis

Compounds 5571 Samples 0

Search Workspace

Chemical search

Build a query, refine the result set, and sketch a structure without leaving the page.

Regex Pattern / motif 700 results

Clear

Query

Treat text query as regular expression

Mode

Sort

Per page

Similarity threshold

Threshold 0.50

Properties

MW min

MW max

LogP min

LogP max

TPSA min

TPSA max

Property fields regex

Reset all

Results

700 results for Pattern / motif query

Cards

Pattern / motif 700 results DB fairmol

Selected 0 Select all on page Select all results

Global compound selection stays available across the browser. Save selected compounds into analysis sets A / B / C, then use union, intersection or negation in the Analysis selection workbench.

Query interpretation

Pattern registry Vnos: peptidomimetic_n_methyl N-Methyl amide

Select ID 32 DB fairmol

KB_chagas_102

ID 32

Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C\c1sc2ccccc2c1Cl

Formula: C22H24ClN3O3S2

MW: 478.04 | LogP: 4.40

TPSA: 72.27

Patterns:

N-Methyl amide

Detail

Select ID 39 DB fairmol

Z29700516

ID 39

Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1

Formula: C24H31ClN4O3S

MW: 491.06 | LogP: 3.46

TPSA: 64.17

Patterns:

N-Methyl amide

Detail

Select ID 63 DB fairmol

Z30164433

ID 63

C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)C1

Formula: C23H28N2O3S

MW: 412.56 | LogP: 3.94

TPSA: 57.69

Patterns:

N-Methyl amide

Detail

Select ID 64 DB fairmol

ulfkktlib_769

ID 64

O=C(N[C@H]1C(=O)N2C[C@H](C(=O)O)[C@@H](c3c(Cl)cccc3Cl)N2[C@@H]1c1ccccc1)OCc1ccccc1

Formula: C27H23Cl2N3O5

MW: 540.40 | LogP: 4.84

TPSA: 99.18

Patterns:

N-Methyl amide

Detail

Select ID 69 DB fairmol

Z30879420

ID 69

O=C(c1cc2ccccc2cc1O)N1CCN(c2ccccc2O)CC1

Formula: C21H20N2O3

MW: 348.40 | LogP: 3.21

TPSA: 64.01

Patterns:

N-Methyl amide

Detail

Select ID 92 DB fairmol

OHD_Leishmania_88

ID 92

O=C(Cc1ccc(F)c(F)c1)N1CCC(Nc2ccc3c(C4CCOCC4)[nH]nc3c2)CC1

Formula: C25H28F2N4O2

MW: 454.52 | LogP: 4.38

TPSA: 70.25

Patterns:

N-Methyl amide

Detail

Select ID 103 DB fairmol

OSA_Lib_249

ID 103

C[NH+](C)[C@]12CCN(C(=O)CC[NH+]3CCCCC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C30H43N3O+2

MW: 461.69 | LogP: 2.29

TPSA: 29.19

Patterns:

N-Methyl amide

Detail

Select ID 108 DB fairmol

KB_HAT_25

ID 108

Cc1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)cc1

Formula: C26H27N4O3S+

MW: 475.59 | LogP: 2.21

TPSA: 94.71

Patterns:

N-Methyl amide

Detail

Select ID 109 DB fairmol

Z26606975

ID 109

CN(CC(=O)Nc1ccccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1

Formula: C26H26ClFN4O4S

MW: 545.04 | LogP: 3.70

TPSA: 90.03

Patterns:

N-Methyl amide

Detail

Select ID 115 DB fairmol

Z57907392

ID 115

COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(SC)cc1

Formula: C21H21N3O3S

MW: 395.48 | LogP: 3.70

TPSA: 78.45

Patterns:

N-Methyl amide

Detail

Select ID 119 DB fairmol

Z220539038

ID 119

O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1

Formula: C25H24N3O+

MW: 382.49 | LogP: 4.67

TPSA: 50.24

Patterns:

N-Methyl amide

Detail

Select ID 132 DB fairmol

Z57985071

ID 132

O=C(C[C@H]1S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1F

Formula: C27H23FN4O2S

MW: 486.57 | LogP: 5.51

TPSA: 77.56

Patterns:

N-Methyl amide

Detail

Select ID 147 DB fairmol

OHD_Leishmania_87

ID 147

COc1ccccc1-c1n[nH]c2cc(NC3CCN(C(=O)CC4CC4)CC3)ccc12

Formula: C24H28N4O2

MW: 404.51 | LogP: 4.44

TPSA: 70.25

Patterns:

N-Methyl amide

Detail

Select ID 160 DB fairmol

OSA_Lib_359

ID 160

O=C(CN1CCCCC1)N1CC[C@@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2

Formula: C31H42N3O+

MW: 472.70 | LogP: 3.85

TPSA: 27.99

Patterns:

N-Methyl amide

Detail

Select ID 165 DB fairmol

KB_HAT_6

ID 165

COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CNC(=O)C2CCCC2)cc1

Formula: C24H26ClN3O3

MW: 439.94 | LogP: 4.33

TPSA: 71.00

Patterns:

N-Methyl amide

Detail

Select ID 173 DB fairmol

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:

N-Methyl amide

Detail

Select ID 175 DB fairmol

OHD_Leishmania_479

ID 175

O=C(Nc1ccc(Cl)cc1)Nc1cccc(C2=NN(C(=O)c3cccnc3)[C@@H](c3cccnc3)C2)c1

Formula: C27H21ClN6O2

MW: 496.96 | LogP: 5.77

TPSA: 99.58

Patterns:

N-Methyl amide

Detail

Select ID 177 DB fairmol

OSA_Lib_348

ID 177

C[NH+](C)[C@]12CCN(C(=O)c3cccnc3)[C@H]([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C28H32N3O+

MW: 426.58 | LogP: 3.54

TPSA: 37.64

Patterns:

N-Methyl amide

Detail

Select ID 195 DB fairmol

KB_HAT_51

ID 195

CN1C(=O)c2ccccc2Sc2ccc(NC(=O)NCc3ccco3)cc21

Formula: C20H17N3O3S

MW: 379.44 | LogP: 4.34

TPSA: 74.58

Patterns:

N-Methyl amide

Detail

Select ID 199 DB fairmol

Z44617742

ID 199

Nc1c(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2CCCC2)c(O)nc(=O)n1Cc1ccccc1

Formula: C23H23Cl2N5O3

MW: 488.38 | LogP: 4.87

TPSA: 113.48

Patterns:

N-Methyl amide

Detail

Page 1 / 35