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Regex Pattern / motif 613 results

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613 results for Pattern / motif query

Cards

Pattern / motif 613 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: chlorine Chlorine

Select ID 5 DB Docking_panel_21

OHD_TB2020_34

ID 5

CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O

Formula: C20H19Cl2N5O2

MW: 432.31 | LogP: 3.90

TPSA: 77.73

Patterns:

Chlorine

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:

Chlorine

Detail

Select ID 17 DB Docking_panel_21

OHD_TB2020_31

ID 17

O=c1n(Cc2nc3nc(Cl)ccc3[nH]2)cc(Cc2ccc(Cl)cc2Cl)n1CC(F)F

Formula: C19H14Cl3F2N5O

MW: 472.71 | LogP: 4.79

TPSA: 68.50

Patterns:

Chlorine

Detail

Select ID 24 DB Docking_panel_21

Z1521553711

ID 24

Oc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1

Formula: C16H16ClNO3

MW: 305.76 | LogP: 2.73

TPSA: 72.72

Patterns:

Chlorine

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:

Chlorine

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:

Chlorine

Detail

Select ID 39 DB Docking_panel_21

Z56175908

ID 39

Cc1cc(N[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1

Formula: C20H16ClN3O2

MW: 365.82 | LogP: 5.09

TPSA: 71.18

Patterns:

Chlorine

Detail

Select ID 40 DB Docking_panel_21

OHD_Babesia_62

ID 40

COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2Cl)c1

Formula: C17H18ClN5O2

MW: 359.82 | LogP: 3.08

TPSA: 108.31

Patterns:

Chlorine

Detail

Select ID 61 DB Docking_panel_21

Z28978240

ID 61

O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C1)Nc1n[nH]c(SCc2ccc(Cl)cc2)n1

Formula: C20H18ClN5O3S

MW: 443.92 | LogP: 2.50

TPSA: 108.05

Patterns:

Chlorine

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:

Chlorine

Detail

Select ID 99 DB Docking_panel_21

CKP-41

ID 99

COc1cccc2c1[n+](C/C=C/c1ccc(Cl)cc1)cn2Cc1ccc(-c2ccccc2)cc1

Formula: C30H26ClN2O+

MW: 466.00 | LogP: 7.02

TPSA: 18.04

Patterns:

Chlorine

Detail

Select ID 108 DB Docking_panel_21

KB_Leish_1

ID 108

COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1

Formula: C24H29Cl2N2O3+

MW: 464.41 | LogP: 3.89

TPSA: 63.00

Patterns:

Chlorine

Detail

Select ID 119 DB Docking_panel_21

Z56908735

ID 119

Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1cccc(Cl)c1

Formula: C23H18ClN5S

MW: 431.95 | LogP: 5.94

TPSA: 72.52

Patterns:

Chlorine

Detail

Select ID 123 DB Docking_panel_21

OHD_MAC_34

ID 123

Oc1ccc(/C=N/Nc2ncnc3c(Nc4cccc(Cl)c4)ncnc23)cc1O

Formula: C19H14ClN7O2

MW: 407.82 | LogP: 3.67

TPSA: 128.44

Patterns:

Chlorine

Detail

Select ID 124 DB Docking_panel_21

Z56071437

ID 124

Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=S)NC(=O)C3CCCCC3)c2)cc1Cl

Formula: C21H23Cl2N3O3S2

MW: 500.47 | LogP: 5.50

TPSA: 87.30

Patterns:

Chlorine

Detail

Select ID 140 DB Docking_panel_21

Z56964630

ID 140

Clc1cccc(N/N=C(/Cc2nc3ccccc3[nH]2)c2ccccc2)c1

Formula: C21H17ClN4

MW: 360.85 | LogP: 5.28

TPSA: 53.07

Patterns:

Chlorine

Detail

Select ID 143 DB Docking_panel_21

KB_Leish_46

ID 143

O=C(CN1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl

Formula: C24H26Cl2N2O4

MW: 477.39 | LogP: 5.03

TPSA: 71.03

Patterns:

Chlorine

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:

Chlorine

Detail

Select ID 148 DB Docking_panel_21

MK205

ID 148

Cc1ccc(C2(CNC(=O)c3cc(COn4nnc5cccnc54)ccc3Cl)CCCCC2)cc1

Formula: C27H28ClN5O2

MW: 490.01 | LogP: 5.05

TPSA: 81.93

Patterns:

Chlorine

Detail

Select ID 155 DB Docking_panel_21

OHD_Leishmania_292

ID 155

O[C@H](COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)C[NH+]1CCCC1

Formula: C28H28ClN2O2+

MW: 460.00 | LogP: 4.64

TPSA: 46.79

Patterns:

Chlorine

Detail

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