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Regex Pattern / motif 47 results

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47 results for Pattern / motif query

Cards

Pattern / motif 47 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: cyclopropane Cyclopropane

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:

Cyclopropane

Detail

Select ID 190 DB Docking_panel_21

KB_HAT_96

ID 190

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:

Cyclopropane

Detail

Select ID 307 DB Docking_panel_21

KB_chagas_199

ID 307

C[N@@H+](Cc1cccnc1)Cc1ccc(N2CCN(C(=O)C3(c4ccc(Cl)cc4)CC3)CC2)nc1

Formula: C27H31ClN5O+

MW: 477.03 | LogP: 2.73

TPSA: 53.77

Patterns:

Cyclopropane

Detail

Select ID 408 DB Docking_panel_21

OHD_Babesia_53

ID 408

O=C(O)c1cn(C2CC2)c2cc(N3CC[NH+](Cc4cn(Cc5ccc(Br)cc5)nn4)CC3)c(F)cc2c1=O

Formula: C27H27BrFN6O3+

MW: 582.45 | LogP: 2.48

TPSA: 97.69

Patterns:

Cyclopropane

Detail

Select ID 589 DB Docking_panel_21

TC552

ID 589

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

Formula: C18H19N6O3+

MW: 367.39 | LogP: 1.06

TPSA: 123.14

Patterns:

Cyclopropane

Detail

Select ID 634 DB Docking_panel_21

KB_Leish_182

ID 634

N#Cc1cccc(CNc2ccc(-c3cnn(CC4CC4)c(=O)c3C#N)cc2)c1

Formula: C23H19N5O

MW: 381.44 | LogP: 3.68

TPSA: 94.50

Patterns:

Cyclopropane

Detail

Select ID 694 DB Docking_panel_21

KB_HAT_172

ID 694

O=C(N[C@H]1CC[N@@H+]([C@@H]2Cc3ccc(NS(=O)(=O)c4cc(F)cc(F)c4)cc3C2)CC1)C1CC1

Formula: C24H28F2N3O3S+

MW: 476.57 | LogP: 1.81

TPSA: 79.71

Patterns:

Cyclopropane

Detail

Select ID 708 DB Docking_panel_21

KB_HAT_171

ID 708

COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C[C@@H]([N@H+]2CC[C@H](NC(=O)C4CC4)CC2)C3)c1

Formula: C25H32N3O4S+

MW: 470.62 | LogP: 1.54

TPSA: 88.94

Patterns:

Cyclopropane

Detail

Select ID 713 DB Docking_panel_21

Z2009870667

ID 713

CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C\c2ccc3ccc(Cl)cc3n2)c1

Formula: C35H36ClNO3S

MW: 586.20 | LogP: 8.95

TPSA: 70.42

Patterns:

Cyclopropane

Detail

Select ID 755 DB Docking_panel_21

Z790344744

ID 755

CCc1cc2c(=O)[nH]c(C3CC3)nc2s1

Formula: C11H12N2OS

MW: 220.30 | LogP: 2.42

TPSA: 45.75

Patterns:

Cyclopropane

Detail

Select ID 784 DB Docking_panel_21

Z27167190

ID 784

O/C(Cc1c[nH]c2ccccc12)=N\c1nnc(C2CC2)s1

Formula: C15H14N4OS

MW: 298.37 | LogP: 3.73

TPSA: 74.16

Patterns:

Cyclopropane

Detail

Select ID 810 DB Docking_panel_21

Z57329641

ID 810

COc1cc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)ccc1O

Formula: C15H16N4O3

MW: 300.32 | LogP: 1.77

TPSA: 99.60

Patterns:

Cyclopropane

Detail

Select ID 825 DB Docking_panel_21

TC409

ID 825

O[C@H](c1cn(Cc2c[nH]c3nc(NC4CC4)ccc23)nn1)c1cccs1

Formula: C18H18N6OS

MW: 366.45 | LogP: 2.92

TPSA: 91.65

Patterns:

Cyclopropane

Detail

Select ID 962 DB Docking_panel_21

TC408

ID 962

O[C@@H](c1ccccn1)c1cn(Cc2c[nH]c3nc(NC4CC4)ccc23)nn1

Formula: C19H19N7O

MW: 361.41 | LogP: 2.25

TPSA: 104.54

Patterns:

Cyclopropane

Detail

Select ID 1072 DB Docking_panel_21

TC410

ID 1072

O[C@@H](c1cn(Cc2c[nH]c3nc(NC4CC4)ccc23)nn1)c1ccco1

Formula: C18H18N6O2

MW: 350.38 | LogP: 2.45

TPSA: 104.79

Patterns:

Cyclopropane

Detail

Select ID 1073 DB Docking_panel_21

Z1174043708

ID 1073

C[C@H](Cn1ccnc1)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl

Formula: C16H17Cl2N3O

MW: 338.24 | LogP: 3.50

TPSA: 46.92

Patterns:

Cyclopropane

Detail

Select ID 1077 DB Docking_panel_21

KB_chagas_74

ID 1077

C[C@@H](Cn1ccnc1)NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl

Formula: C16H17Cl2N3O

MW: 338.24 | LogP: 3.50

TPSA: 46.92

Patterns:

Cyclopropane

Detail

Select ID 1144 DB Docking_panel_21

TC409

ID 1144

O[C@@H](c1cn(Cc2c[nH]c3nc(NC4CC4)ccc23)nn1)c1cccs1

Formula: C18H18N6OS

MW: 366.45 | LogP: 2.92

TPSA: 91.65

Patterns:

Cyclopropane

Detail

Select ID 1148 DB Docking_panel_21

KB_chagas_12

ID 1148

COc1cccc(C(=O)[C@H]2C[C@@H]2C[NH+](Cc2cccnc2)Cc2cccnc2)c1

Formula: C24H26N3O2+

MW: 388.49 | LogP: 2.59

TPSA: 56.52

Patterns:

Cyclopropane

Detail

Select ID 1197 DB Docking_panel_21

KB_HAT_106

ID 1197

Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCC[C@H]2C(N)=O)[nH+]1

Formula: C16H22N7O+

MW: 328.40 | LogP: 1.00

TPSA: 114.07

Patterns:

Cyclopropane

Detail

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