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Regex Pattern / motif 138 results

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138 results for Pattern / motif query

Cards

Pattern / motif 138 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: indole Indole

Select ID 1 DB Docking_panel_21

Z53787229

ID 1

Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2[nH]1

Formula: C18H15N3OS

MW: 321.41 | LogP: 4.33

TPSA: 61.54

Patterns:

Indole

Detail

Select ID 6 DB Docking_panel_21

OHD_ACDS_25

ID 6

[NH3+]CC(c1c[nH]c2cc(Cl)ccc12)c1c[nH]c2cc(Cl)ccc12

Formula: C18H16Cl2N3+

MW: 345.25 | LogP: 4.33

TPSA: 59.22

Patterns:

Indole

Detail

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:

Indole

Detail

Select ID 26 DB Docking_panel_21

Z56784490

ID 26

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

Formula: C23H19ClN4O2S

MW: 450.95 | LogP: 4.37

TPSA: 86.35

Patterns:

Indole

Detail

Select ID 27 DB Docking_panel_21

Z44851564

ID 27

Cc1[nH]c2ccccc2c1/C=N/Nc1nncc2ccccc12

Formula: C18H15N5

MW: 301.35 | LogP: 3.87

TPSA: 65.96

Patterns:

Indole

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:

Indole

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:

Indole

Detail

Select ID 48 DB Docking_panel_21

KB_chagas_112

ID 48

Cc1cccc(N2CCC[N@H+](Cc3c[nH]c4ccccc34)CC2)n1

Formula: C20H25N4+

MW: 321.45 | LogP: 2.17

TPSA: 36.36

Patterns:

Indole

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:

Indole

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:

Indole

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:

Indole

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:

Indole

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:

Indole

Detail

Select ID 104 DB Docking_panel_21

Z56920486

ID 104

COCC/N=c1/scc(-c2cc(OC)ccc2OC)n1/N=C/c1c[nH]c2ccccc12

Formula: C23H24N4O3S

MW: 436.54 | LogP: 4.14

TPSA: 73.13

Patterns:

Indole

Detail

Select ID 141 DB Docking_panel_21

OHD_TbNat_160

ID 141

Cc1cc(C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3CN2)c1

Formula: C29H30N4O2

MW: 466.59 | LogP: 4.17

TPSA: 86.02

Patterns:

Indole

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:

Indole

Detail

Select ID 146 DB Docking_panel_21

OHD_TB2020_11

ID 146

COc1ccc2[nH]cc(CCN3CC[C@H](N(C)Cc4cc(Cl)cc(Cl)c4)[C@H]([C@@H](C)O)C3=O)c2c1

Formula: C26H31Cl2N3O3

MW: 504.46 | LogP: 4.76

TPSA: 68.80

Patterns:

Indole

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:

Indole

Detail

Select ID 181 DB Docking_panel_21

OHD_TB2022_35

ID 181

CC(C)C[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O

Formula: C24H24N4O2

MW: 400.48 | LogP: 3.88

TPSA: 79.78

Patterns:

Indole

Detail

Select ID 211 DB Docking_panel_21

Z48204477

ID 211

Cc1cccc(C)c1-n1c(=O)/c(=C\c2ccncc2)s/c1=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12

Formula: C29H22N4O2S

MW: 490.59 | LogP: 4.09

TPSA: 91.54

Patterns:

Indole

Detail

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