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Regex Pattern / motif 89 results

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89 results for Pattern / motif query

Cards

Pattern / motif 89 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: pyrazole Pyrazole

Select ID 7 DB Docking_panel_21

KB_Leish_101

ID 7

Cc1ccc(Nc2nc([C@H]3CCC[N@@H+]3Cc3cc[nH]n3)cs2)nc1

Formula: C17H21N6S+

MW: 341.46 | LogP: 2.23

TPSA: 70.93

Patterns:

Pyrazole

Detail

Select ID 85 DB Docking_panel_21

Z57457889

ID 85

O=C1C=Cc2ccccc2/C1=C\N/N=C(\O)c1cc(-c2ccc3ccccc3c2)n[nH]1

Formula: C25H18N4O2

MW: 406.45 | LogP: 4.68

TPSA: 90.37

Patterns:

Pyrazole

Detail

Select ID 98 DB Docking_panel_21

Z57907392

ID 98

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

Formula: C21H21N3O3S

MW: 395.48 | LogP: 3.70

TPSA: 78.45

Patterns:

Pyrazole

Detail

Select ID 103 DB Docking_panel_21

Z1213669189

ID 103

C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1cccc(OCC)c1

Formula: C24H25N3O3

MW: 403.48 | LogP: 4.53

TPSA: 78.45

Patterns:

Pyrazole

Detail

Select ID 135 DB Docking_panel_21

Z57907181

ID 135

COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2cccc(O)c2)cc1OC

Formula: C27H25N3O5

MW: 471.51 | LogP: 4.29

TPSA: 107.91

Patterns:

Pyrazole

Detail

Select ID 190 DB Docking_panel_21

KB_HAT_96

ID 190

N#Cc1cccc(Cc2cc(Nc3cc(C4CC4)n[nH]3)nc(N3CC[C@H]3C(N)=O)n2)c1

Formula: C22H22N8O

MW: 414.47 | LogP: 2.35

TPSA: 136.61

Patterns:

Pyrazole

Detail

Select ID 252 DB Docking_panel_21

OHD_Leishmania_466

ID 252

c1cc(CN2CCC[C@H](c3cn[nH]c3)C2)cc(-c2ccncc2)c1

Formula: C20H22N4

MW: 318.42 | LogP: 3.85

TPSA: 44.81

Patterns:

Pyrazole

Detail

Select ID 357 DB Docking_panel_21

OHD_Leishmania_121

ID 357

CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccc(C(F)(F)F)cc1)c1c(C)[nH]n(-c2ccccc2)c1=O

Formula: C28H23F3N4O2

MW: 504.51 | LogP: 5.66

TPSA: 70.46

Patterns:

Pyrazole

Detail

Select ID 414 DB Docking_panel_21

KB_HAT_112

ID 414

COc1ccc2ncc(=O)n(CC[N@@H+]3CC[C@H]([NH2+]Cc4ncc(Cl)c5[nH]ncc45)[C@H](O)C3)c2n1

Formula: C22H27ClN8O3+2

MW: 486.96 | LogP: -1.49

TPSA: 139.86

Patterns:

Pyrazole

Detail

Select ID 462 DB Docking_panel_21

OHD_Leishmania_466

ID 462

c1cc(C[N@@H+]2CCC[C@@H](c3cn[nH]c3)C2)cc(-c2ccncc2)c1

Formula: C20H23N4+

MW: 319.43 | LogP: 2.43

TPSA: 46.01

Patterns:

Pyrazole

Detail

Select ID 468 DB Docking_panel_21

Z1213668957

ID 468

O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccco1

Formula: C22H16ClN3O3

MW: 405.84 | LogP: 4.77

TPSA: 82.36

Patterns:

Pyrazole

Detail

Select ID 557 DB Docking_panel_21

KB_HAT_114

ID 557

CC(C)c1cc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)[nH]n1

Formula: C23H30N6O

MW: 406.53 | LogP: 4.37

TPSA: 98.75

Patterns:

Pyrazole

Detail

Select ID 565 DB Docking_panel_21

KB_chagas_81

ID 565

CC[N@H+](Cc1ccncc1)Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1

Formula: C25H25FN5O+

MW: 430.51 | LogP: 3.47

TPSA: 75.11

Patterns:

Pyrazole

Detail

Select ID 591 DB Docking_panel_21

KB_chagas_3

ID 591

COc1cccc(CCNC(=O)[C@H](c2cn[nH]c2)N2CCN(c3ccc(Cl)cc3)CC2)c1

Formula: C24H28ClN5O2

MW: 453.97 | LogP: 3.29

TPSA: 73.49

Patterns:

Pyrazole

Detail

Select ID 622 DB Docking_panel_21

KB_Leish_114

ID 622

COc1ccc(Nc2nccc(N(C)c3[nH]nc4c(F)cccc34)n2)cc1S(C)(=O)=O

Formula: C20H19FN6O3S

MW: 442.48 | LogP: 3.42

TPSA: 113.10

Patterns:

Pyrazole

Detail

Select ID 689 DB Docking_panel_21

KB_chagas_35

ID 689

O=C(NCCc1cccc[nH+]1)[C@@H](c1cn[nH]c1)[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1

Formula: C22H26Cl2N6O+2

MW: 461.40 | LogP: 1.34

TPSA: 79.60

Patterns:

Pyrazole

Detail

Select ID 692 DB Docking_panel_21

Z57388199

ID 692

Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1

Formula: C26H22N6O

MW: 434.50 | LogP: 4.80

TPSA: 87.96

Patterns:

Pyrazole

Detail

Select ID 771 DB Docking_panel_21

KB_Leish_102

ID 771

Cc1cn[nH]c1[C@H]1CCCN(Cc2nc3ccccc3n2C)C1

Formula: C18H23N5

MW: 309.42 | LogP: 2.98

TPSA: 49.74

Patterns:

Pyrazole

Detail

Select ID 810 DB Docking_panel_21

Z57329641

ID 810

COc1cc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)ccc1O

Formula: C15H16N4O3

MW: 300.32 | LogP: 1.77

TPSA: 99.60

Patterns:

Pyrazole

Detail

Select ID 844 DB Docking_panel_21

Z56976985

ID 844

Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)o1

Formula: C16H13ClN4O2

MW: 328.76 | LogP: 3.40

TPSA: 83.28

Patterns:

Pyrazole

Detail

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