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Regex Pattern / motif 17 results

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17 results for Pattern / motif query

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Pattern / motif 17 results DB Docking_panel_21

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Pattern registry Vnos: indoline Indoline

Select ID 114 DB Docking_panel_21

Z49628521

ID 114

O=C1Nc2ccccc2/C1=N/N/C(O)=C1\C=c2ccccc2=CC1=O

Formula: C19H13N3O3

MW: 331.33 | LogP: 0.55

TPSA: 90.79

Patterns:

Indoline

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:

Indoline

Detail

Select ID 494 DB Docking_panel_21

OHD_TB2019_1

ID 494

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OC[C@@H](O)CO

Formula: C19H16BrN3O4

MW: 430.26 | LogP: 2.31

TPSA: 103.18

Patterns:

Indoline

Detail

Select ID 681 DB Docking_panel_21

OHD_TB2019_4

ID 681

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCC[NH+]1CCN(C2CCCC2)CC1

Formula: C27H31BrN5O2+

MW: 537.48 | LogP: 3.10

TPSA: 70.40

Patterns:

Indoline

Detail

Select ID 721 DB Docking_panel_21

OHD_TB2019_2

ID 721

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCN(CCOCCO)CC1

Formula: C26H30BrN5O4

MW: 556.46 | LogP: 2.59

TPSA: 98.66

Patterns:

Indoline

Detail

Select ID 1407 DB Docking_panel_21

OHD_Leishmania_346

ID 1407

O=C1Nc2ccc(Br)cc2/C1=N\Nc1ccnc2cc(Cl)ccc12

Formula: C17H10BrClN4O

MW: 401.65 | LogP: 4.42

TPSA: 66.38

Patterns:

Indoline

Detail

Select ID 1798 DB Docking_panel_21

OHD_TB2019_3

ID 1798

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCC[NH+]1CC[NH2+]CC1

Formula: C22H24BrN5O2+2

MW: 470.37 | LogP: 0.42

TPSA: 83.77

Patterns:

Indoline

Detail

Select ID 2403 DB Docking_panel_21

Z44305068

ID 2403

NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)Nc4cc(Cl)ccc43)o2)cc1

Formula: C19H13ClN2O4S

MW: 400.84 | LogP: 3.74

TPSA: 102.40

Patterns:

Indoline

Detail

Select ID 2437 DB Docking_panel_21

Z199053426

ID 2437

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N/O

Formula: C16H10BrN3O2

MW: 356.18 | LogP: 3.42

TPSA: 73.72

Patterns:

Indoline

Detail

Select ID 2472 DB Docking_panel_21

OHD_TC1_148

ID 2472

Cc1s/c(=N\N=C2/C(=O)Nc3ccccc32)n(-c2ccccc2)c1-c1ccccc1

Formula: C24H18N4OS

MW: 410.50 | LogP: 4.77

TPSA: 58.75

Patterns:

Indoline

Detail

Select ID 2496 DB Docking_panel_21

OHD_Leishmania_511

ID 2496

Cc1ccc(-c2cs/c(=N\N=C3\C(=O)Nc4ccccc43)n2-c2ccccc2)cc1

Formula: C24H18N4OS

MW: 410.50 | LogP: 4.77

TPSA: 58.75

Patterns:

Indoline

Detail

Select ID 2572 DB Docking_panel_21

OHD_TB2019_3

ID 2572

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CC[NH2+]CC1

Formula: C22H23BrN5O2+

MW: 469.36 | LogP: 1.84

TPSA: 82.57

Patterns:

Indoline

Detail

Select ID 3233 DB Docking_panel_21

Z56843767

ID 3233

O=C1Nc2ccccc2/C1=C\c1coc2ccccc2c1=O

Formula: C18H11NO3

MW: 289.29 | LogP: 3.29

TPSA: 59.31

Patterns:

Indoline

Detail

Select ID 3254 DB Docking_panel_21

Z49628521

ID 3254

O=C1Nc2ccccc2/C1=N\NC(=O)c1cc2ccccc2cc1O

Formula: C19H13N3O3

MW: 331.33 | LogP: 2.63

TPSA: 90.79

Patterns:

Indoline

Detail

Select ID 3371 DB Docking_panel_21

Z44305068

ID 3371

NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)Nc4cc(Cl)ccc43)o2)cc1

Formula: C19H13ClN2O4S

MW: 400.84 | LogP: 3.74

TPSA: 102.40

Patterns:

Indoline

Detail

Select ID 3380 DB Docking_panel_21

OHD_TB2019_1

ID 3380

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OC[C@H](O)CO

Formula: C19H16BrN3O4

MW: 430.26 | LogP: 2.31

TPSA: 103.18

Patterns:

Indoline

Detail

Select ID 3435 DB Docking_panel_21

Z2756516920

ID 3435

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)C[NH+]2CCN(C)CC2)cc1)c1ccccc1

Formula: C31H34N5O4+

MW: 540.64 | LogP: 2.20

TPSA: 95.42

Patterns:

Indoline

Detail