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Regex Pattern / motif 164 results

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164 results for Pattern / motif query

Cards

Pattern / motif 164 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: pyrrole Pyrrole

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:

Pyrrole

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:

Pyrrole

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:

Pyrrole

Detail

Select ID 15 DB Docking_panel_21

KB_chagas_183

ID 15

CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc4[nH+]cccc4[nH]3)C2)on1

Formula: C19H23N4O2+

MW: 339.42 | LogP: 3.11

TPSA: 76.27

Patterns:

Pyrrole

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:

Pyrrole

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:

Pyrrole

Detail

Select ID 31 DB Docking_panel_21

OHD_TC1_133

ID 31

Clc1ccc(-c2cc([C@@H](c3ccc(Cl)cc3)n3ccnc3)c[nH]2)cc1

Formula: C20H15Cl2N3

MW: 368.27 | LogP: 5.82

TPSA: 33.61

Patterns:

Pyrrole

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:

Pyrrole

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:

Pyrrole

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:

Pyrrole

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:

Pyrrole

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:

Pyrrole

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:

Pyrrole

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:

Pyrrole

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:

Pyrrole

Detail

Select ID 95 DB Docking_panel_21

TC551

ID 95

NC(=O)c1cncc(C(=O)NCc2c[nH]c3[nH+]c(NC4CC4)ccc23)n1

Formula: C17H18N7O2+

MW: 352.38 | LogP: 0.38

TPSA: 139.93

Patterns:

Pyrrole

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:

Pyrrole

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:

Pyrrole

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:

Pyrrole

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:

Pyrrole

Detail

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