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Regex Pattern / motif 152 results

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152 results for Pattern / motif query

Cards

Pattern / motif 152 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: bromine Bromine

Select ID 10 DB Docking_panel_21

OHD_ACDS_37

ID 10

Brc1ccc2c(C(CNCc3ccco3)c3c[nH]c4cc(Br)ccc34)c[nH]c2c1

Formula: C23H19Br2N3O

MW: 513.23 | LogP: 6.69

TPSA: 56.75

Patterns:

Bromine

Detail

Select ID 13 DB Docking_panel_21

Z56902329

ID 13

CC/N=c1/scc(-c2ccc(Br)cc2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C18H16BrN3O3S

MW: 434.32 | LogP: 3.90

TPSA: 90.34

Patterns:

Bromine

Detail

Select ID 21 DB Docking_panel_21

Z49724748

ID 21

Cc1cc(SCC(=O)N/N=C/c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

Bromine

Detail

Select ID 32 DB Docking_panel_21

Z1157836593

ID 32

C[C@H](Oc1ccc(Br)cc1)c1nc2c3ccccc3[nH]c(=S)n2n1

Formula: C17H13BrN4OS

MW: 401.29 | LogP: 4.84

TPSA: 55.21

Patterns:

Bromine

Detail

Select ID 37 DB Docking_panel_21

Z56784505

ID 37

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Br)cc1)c1cccs1

Formula: C23H19BrN4O2S

MW: 495.40 | LogP: 4.48

TPSA: 86.35

Patterns:

Bromine

Detail

Select ID 42 DB Docking_panel_21

OHD_ACDS_39

ID 42

CC(C)C(=O)NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12

Formula: C22H21Br2N3O

MW: 503.24 | LogP: 6.08

TPSA: 60.68

Patterns:

Bromine

Detail

Select ID 49 DB Docking_panel_21

OHD_ACDS_32

ID 49

CC(C)CNCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12

Formula: C22H23Br2N3

MW: 489.26 | LogP: 6.55

TPSA: 43.61

Patterns:

Bromine

Detail

Select ID 52 DB Docking_panel_21

OHD_MAC_45

ID 52

Brc1cccc(/C=N/Nc2ncnc3c(Nc4cccnc4)ncnc23)c1

Formula: C18H13BrN8

MW: 421.26 | LogP: 3.77

TPSA: 100.87

Patterns:

Bromine

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:

Bromine

Detail

Select ID 62 DB Docking_panel_21

Z56960380

ID 62

S=c1[nH]nc(-c2ccccn2)n1/N=C/c1ccc(-c2ccccc2Br)o1

Formula: C18H12BrN5OS

MW: 426.30 | LogP: 4.91

TPSA: 72.00

Patterns:

Bromine

Detail

Select ID 65 DB Docking_panel_21

OHD_ACDS_44

ID 65

O=C(NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12)c1ccco1

Formula: C23H17Br2N3O2

MW: 527.22 | LogP: 6.33

TPSA: 73.82

Patterns:

Bromine

Detail

Select ID 68 DB Docking_panel_21

OHD_ACDS_45

ID 68

O=C(NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12)c1cccs1

Formula: C23H17Br2N3OS

MW: 543.28 | LogP: 6.80

TPSA: 60.68

Patterns:

Bromine

Detail

Select ID 82 DB Docking_panel_21

OHD_ACDS_41

ID 82

O=C(NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12)c1ccc(Cl)cc1

Formula: C25H18Br2ClN3O

MW: 571.70 | LogP: 7.39

TPSA: 60.68

Patterns:

Bromine

Detail

Select ID 86 DB Docking_panel_21

Z33269755

ID 86

COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1S(=O)(=O)Nc1ccc(Br)cc1

Formula: C22H18BrN3O5S2

MW: 548.44 | LogP: 4.56

TPSA: 113.60

Patterns:

Bromine

Detail

Select ID 145 DB Docking_panel_21

OHD_TB2019_7

ID 145

Cc1ccc2[nH]c(CCNC(=O)COc3ccc4ccccc4c3Br)cc2c1

Formula: C23H21BrN2O2

MW: 437.34 | LogP: 5.13

TPSA: 54.12

Patterns:

Bromine

Detail

Select ID 176 DB Docking_panel_21

OHD_ACDS_33

ID 176

Fc1ccc(C[NH2+]CC(c2c[nH]c3cc(Br)ccc23)c2c[nH]c3cc(Br)ccc23)cc1

Formula: C25H21Br2FN3+

MW: 542.27 | LogP: 6.21

TPSA: 48.19

Patterns:

Bromine

Detail

Select ID 204 DB Docking_panel_21

KB_chagas_83

ID 204

Cc1cc(Br)cc(C(=O)c2c(C(C)C)c(=O)nc(O)n2Cc2cc[nH+]c(N)c2)c1

Formula: C21H22BrN4O3+

MW: 458.34 | LogP: 2.82

TPSA: 112.35

Patterns:

Bromine

Detail

Select ID 223 DB Docking_panel_21

OHD_TB2019_4

ID 223

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCC[N@H+]1CC[N@@H+](C2CCCC2)CC1

Formula: C27H32BrN5O2+2

MW: 538.49 | LogP: 1.68

TPSA: 71.60

Patterns:

Bromine

Detail

Select ID 241 DB Docking_panel_21

KB_HAT_186

ID 241

O=c1nc(NCCC[NH2+]Cc2cc(Br)cc(Br)c2)[nH]c2ccsc12

Formula: C16H17Br2N4OS+

MW: 473.21 | LogP: 3.08

TPSA: 74.39

Patterns:

Bromine

Detail

Select ID 350 DB Docking_panel_21

OHD_TC1_11

ID 350

O=C(C[C@@H](Nc1ccc2ccccc2c1)c1ccncc1)c1ccc(Br)cc1

Formula: C24H19BrN2O

MW: 431.33 | LogP: 6.42

TPSA: 41.99

Patterns:

Bromine

Detail

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