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Regex Pattern / motif 111 results

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111 results for Pattern / motif query

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Pattern / motif 111 results DB fairmol

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Query interpretation

Pattern registry Vnos: pyrazole Pyrazole

Select ID 25 DB fairmol

TC107

ID 25

COCCn1cc2c([nH+]1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2

Formula: C22H29N2O2+

MW: 353.49 | LogP: 3.22

TPSA: 48.53

Patterns:

Pyrazole

Detail

Select ID 80 DB fairmol

OHD_Leishmania_89

ID 80

Clc1ccc(N2CCC(Nc3ccc4c(N5CCOCC5)n[nH]c4c3)CC2)nn1

Formula: C20H24ClN7O

MW: 413.91 | LogP: 2.92

TPSA: 82.20

Patterns:

Pyrazole

Detail

Select ID 82 DB fairmol

KB_HAT_114

ID 82

CC(C)c1cc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)[nH+]2)n[nH]1

Formula: C23H31N6O+

MW: 407.54 | LogP: 3.79

TPSA: 100.00

Patterns:

Pyrazole

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:

Pyrazole

Detail

Select ID 101 DB fairmol

Z57388199

ID 101

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 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:

Pyrazole

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:

Pyrazole

Detail

Select ID 156 DB fairmol

KB_Leish_114

ID 156

COc1ccc(Nc2nc(N(C)c3n[nH]c4c(F)cccc34)cc[nH+]2)cc1S(C)(=O)=O

Formula: C20H20FN6O3S+

MW: 443.48 | LogP: 2.83

TPSA: 114.35

Patterns:

Pyrazole

Detail

Select ID 187 DB fairmol

Z57281539

ID 187

Cc1n[nH]c(-c2ccc(O)cc2O)c1-c1ccc(Cl)cc1

Formula: C16H13ClN2O2

MW: 300.75 | LogP: 4.12

TPSA: 69.14

Patterns:

Pyrazole

Detail

Select ID 265 DB fairmol

KB_HAT_112

ID 265

COc1ccc2ncc(=O)n(CCN3CC[C@H]([NH2+]Cc4ncc(Cl)c5[nH]ncc45)[C@H](O)C3)c2n1

Formula: C22H26ClN8O3+

MW: 485.96 | LogP: -0.08

TPSA: 138.66

Patterns:

Pyrazole

Detail

Select ID 355 DB fairmol

OHD_Leishmania_86

ID 355

COc1ccccc1-c1n[nH]c2cc(NC3CCN(C(=O)Cc4ccc(F)cc4F)CC3)ccc12

Formula: C27H26F2N4O2

MW: 476.53 | LogP: 5.16

TPSA: 70.25

Patterns:

Pyrazole

Detail

Select ID 388 DB fairmol

KB_HAT_138

ID 388

CS(=O)(=O)c1ccc(Nc2nccc(Nc3n[nH]c4ccc(F)cc34)n2)c(F)c1

Formula: C18H14F2N6O2S

MW: 416.41 | LogP: 3.52

TPSA: 112.66

Patterns:

Pyrazole

Detail

Select ID 422 DB fairmol

KB_HAT_96

ID 422

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 512 DB fairmol

Z57168363

ID 512

CCOc1cccc(/C=N\NC(=O)c2cc(C3CC3)n[nH]2)c1O

Formula: C16H18N4O3

MW: 314.35 | LogP: 2.16

TPSA: 99.60

Patterns:

Pyrazole

Detail

Select ID 573 DB fairmol

Z57907181

ID 573

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

Formula: C27H25N3O5

MW: 471.51 | LogP: 4.29

TPSA: 107.91

Patterns:

Pyrazole

Detail

Select ID 672 DB fairmol

Z1213669211

ID 672

CCCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1cccc(OC)c1

Formula: C23H25N3O3

MW: 391.47 | LogP: 4.36

TPSA: 78.45

Patterns:

Pyrazole

Detail

Select ID 688 DB fairmol

Z56798284

ID 688

C=CCc1cccc(/C=N\NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1O

Formula: C24H20N4O2

MW: 396.45 | LogP: 4.43

TPSA: 90.37

Patterns:

Pyrazole

Detail

Select ID 696 DB fairmol

Z1213669189

ID 696

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 809 DB fairmol

KB_HAT_112

ID 809

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 838 DB fairmol

Z57907392

ID 838

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

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