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Regex Pattern / motif 218 results

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218 results for Pattern / motif query

Cards

Pattern / motif 218 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: quinoline Quinoline

Select ID 20 DB Docking_panel_21

KB_chagas_174

ID 20

Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2ccccc2c1=O

Formula: C21H18N2O2

MW: 330.39 | LogP: 3.58

TPSA: 65.72

Patterns:

Quinoline

Detail

Select ID 39 DB Docking_panel_21

Z56175908

ID 39

Cc1cc(N[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1

Formula: C20H16ClN3O2

MW: 365.82 | LogP: 5.09

TPSA: 71.18

Patterns:

Quinoline

Detail

Select ID 60 DB Docking_panel_21

Z30879796

ID 60

O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCN(c2ccccc2O)CC1

Formula: C26H22BrN3O2

MW: 488.39 | LogP: 5.33

TPSA: 56.67

Patterns:

Quinoline

Detail

Select ID 67 DB Docking_panel_21

Z275595534

ID 67

O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1)c1cc(-c2ccco2)nc2ccccc12

Formula: C26H24N4O4S

MW: 488.57 | LogP: 5.00

TPSA: 113.66

Patterns:

Quinoline

Detail

Select ID 78 DB Docking_panel_21

KB_chagas_34

ID 78

O=c1ccc2ccc(F)c3c2n1C[C@H]3C[N@H+]1CC[C@@H](NCc2cc3ccccc3o2)CC1

Formula: C26H27FN3O2+

MW: 432.52 | LogP: 2.82

TPSA: 51.61

Patterns:

Quinoline

Detail

Select ID 80 DB Docking_panel_21

OHD_Leishmania_435

ID 80

O=C(CCCc1c[nH]c2ccccc12)Nc1nc2ccccc2c2ccccc12

Formula: C25H21N3O

MW: 379.46 | LogP: 5.83

TPSA: 57.78

Patterns:

Quinoline

Detail

Select ID 96 DB Docking_panel_21

KB_Leish_72

ID 96

Cc1cc2cc(CNc3ccc4c(c3)OCO4)c(=O)n(CCO)c2cc1C

Formula: C21H22N2O4

MW: 366.42 | LogP: 2.95

TPSA: 72.72

Patterns:

Quinoline

Detail

Select ID 155 DB Docking_panel_21

OHD_Leishmania_292

ID 155

O[C@H](COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)C[NH+]1CCCC1

Formula: C28H28ClN2O2+

MW: 460.00 | LogP: 4.64

TPSA: 46.79

Patterns:

Quinoline

Detail

Select ID 177 DB Docking_panel_21

OHD_TB2021_102

ID 177

CC1(C)C=C(N2CCCC2)C=CN1CCCNc1cc[nH+]c2cc(Cl)ccc12

Formula: C23H30ClN4+

MW: 397.97 | LogP: 4.70

TPSA: 32.65

Patterns:

Quinoline

Detail

Select ID 197 DB Docking_panel_21

OHD_TB2020_5

ID 197

COc1nc2ccccc2cc1-c1cnc([C@@H]2C[N@H+](C[C@H]3CCOC3)CCN2C(=O)n2c(C(F)(F)F)nc3ccccc32)[nH]1

Formula: C31H31F3N7O3+

MW: 606.63 | LogP: 3.95

TPSA: 102.60

Patterns:

Quinoline

Detail

Select ID 206 DB Docking_panel_21

OHD_TC1_138

ID 206

O=C(/C=C/c1ccc(OCCCCCOc2cccc3cccnc23)cc1)c1ccco1

Formula: C27H25NO4

MW: 427.50 | LogP: 6.35

TPSA: 61.56

Patterns:

Quinoline

Detail

Select ID 227 DB Docking_panel_21

KB_HAT_8

ID 227

O=c1ccc2ccc(F)c3c2n1C[C@H]3C[N@H+]1CC[N@@H+](C[C@H](O)c2cc3c(cn2)OCS3)CC1

Formula: C24H27FN4O3S+2

MW: 470.57 | LogP: -0.41

TPSA: 73.23

Patterns:

Quinoline

Detail

Select ID 229 DB Docking_panel_21

KB_HAT_92

ID 229

Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c2c1

Formula: C25H29N3O4S

MW: 467.59 | LogP: 4.19

TPSA: 108.13

Patterns:

Quinoline

Detail

Select ID 248 DB Docking_panel_21

Z49638306

ID 248

C/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(O)cc1O

Formula: C23H18N4O3

MW: 398.42 | LogP: 3.86

TPSA: 107.70

Patterns:

Quinoline

Detail

Select ID 260 DB Docking_panel_21

OHD_Leishmania_255

ID 260

COc1ccc(OC)c(C(=O)OCCNc2cc[nH+]c3cc(Cl)ccc23)c1

Formula: C20H20ClN2O4+

MW: 387.84 | LogP: 3.59

TPSA: 70.93

Patterns:

Quinoline

Detail

Select ID 280 DB Docking_panel_21

Z18798950

ID 280

O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc2c(c1)OCO2

Formula: C24H18N2O6

MW: 430.42 | LogP: 3.70

TPSA: 99.89

Patterns:

Quinoline

Detail

Select ID 281 DB Docking_panel_21

Z26735998

ID 281

COc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1

Formula: C26H24N4O2

MW: 424.50 | LogP: 4.27

TPSA: 58.56

Patterns:

Quinoline

Detail

Select ID 311 DB Docking_panel_21

Z56175938

ID 311

Oc1c([C@H](Nc2cccc(Cl)c2)c2ccncc2)ccc2cccnc12

Formula: C21H16ClN3O

MW: 361.83 | LogP: 5.19

TPSA: 58.04

Patterns:

Quinoline

Detail

Select ID 322 DB Docking_panel_21

Z57116466

ID 322

Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccccc3Cl)c(-c3ccccc3)c2c1

Formula: C25H18ClNO2

MW: 399.88 | LogP: 6.05

TPSA: 49.93

Patterns:

Quinoline

Detail

Select ID 324 DB Docking_panel_21

Z44847963

ID 324

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:

Quinoline

Detail

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