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Regex Pattern / motif 63 results

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63 results for Pattern / motif query

Cards

Pattern / motif 63 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: trifluoromethyl Trifluoromethyl

Select ID 197 DB Docking_panel_21

OHD_TB2020_5

ID 197

COc1nc2ccccc2cc1-c1cnc([C@@H]2C[N@H+](C[C@H]3CCOC3)CCN2C(=O)n2c(C(F)(F)F)nc3ccccc32)[nH]1

Formula: C31H31F3N7O3+

MW: 606.63 | LogP: 3.95

TPSA: 102.60

Patterns:

Trifluoromethyl

Detail

Select ID 352 DB Docking_panel_21

OHD_MAC_67

ID 352

Oc1ccc(/C=N/Nc2ncnc3c(Nc4ccc(Cl)c(C(F)(F)F)c4)ncnc23)cc1O

Formula: C20H13ClF3N7O2

MW: 475.82 | LogP: 4.69

TPSA: 128.44

Patterns:

Trifluoromethyl

Detail

Select ID 357 DB Docking_panel_21

OHD_Leishmania_121

ID 357

CC1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](c1ccc(C(F)(F)F)cc1)c1c(C)[nH]n(-c2ccccc2)c1=O

Formula: C28H23F3N4O2

MW: 504.51 | LogP: 5.66

TPSA: 70.46

Patterns:

Trifluoromethyl

Detail

Select ID 403 DB Docking_panel_21

OHD_TB2020_4

ID 403

COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[N@@H+](C[C@H]4CCOC4)CC[C@H]3c3nc(-c4cc5ccccc5nc4OC)c[nH]3)c2c1

Formula: C34H37F3N7O4+

MW: 664.71 | LogP: 3.91

TPSA: 111.83

Patterns:

Trifluoromethyl

Detail

Select ID 409 DB Docking_panel_21

OHD_Babesia_42

ID 409

Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3N2)cc1

Formula: C32H33F3N5O+

MW: 560.64 | LogP: 4.98

TPSA: 54.60

Patterns:

Trifluoromethyl

Detail

Select ID 421 DB Docking_panel_21

OHD_MAC_70

ID 421

COc1cc(/C=N/Nc2ncnc3c(Nc4ccc(Cl)c(C(F)(F)F)c4)ncnc23)cc(OC)c1O

Formula: C22H17ClF3N7O3

MW: 519.87 | LogP: 5.00

TPSA: 126.67

Patterns:

Trifluoromethyl

Detail

Select ID 601 DB Docking_panel_21

KB_chagas_219

ID 601

FC(F)(F)c1cc([C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)nc2ncnn12

Formula: C20H20F3N6+

MW: 401.42 | LogP: 2.59

TPSA: 63.31

Patterns:

Trifluoromethyl

Detail

Select ID 736 DB Docking_panel_21

OHD_TB2020_4

ID 736

COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[N@H+](C[C@@H]4CCOC4)CC[C@@H]3c3nc(-c4cc5ccccc5nc4OC)c[nH]3)c2c1

Formula: C34H37F3N7O4+

MW: 664.71 | LogP: 3.91

TPSA: 111.83

Patterns:

Trifluoromethyl

Detail

Select ID 953 DB Docking_panel_21

ulfkktlib_1065

ID 953

COC(=O)[C@H](CC(=O)c1cnc2ncccn12)NC(=O)C(F)(F)F

Formula: C13H11F3N4O4

MW: 344.25 | LogP: 0.52

TPSA: 102.66

Patterns:

Trifluoromethyl

Detail

Select ID 963 DB Docking_panel_21

Z1982689601

ID 963

O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(F)(F)F)n2)c1

Formula: C25H21F3N4O3S

MW: 514.53 | LogP: 5.36

TPSA: 90.14

Patterns:

Trifluoromethyl

Detail

Select ID 994 DB Docking_panel_21

OHD_MAC_60

ID 994

Oc1ccc(/C=N/Nc2ncnc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)cc1O

Formula: C20H14F3N7O3

MW: 457.37 | LogP: 3.92

TPSA: 137.67

Patterns:

Trifluoromethyl

Detail

Select ID 1157 DB Docking_panel_21

Z1575271347

ID 1157

NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O

Formula: C8H8F3N3O4S2

MW: 331.30 | LogP: 0.01

TPSA: 118.36

Patterns:

Trifluoromethyl

Detail

Select ID 1359 DB Docking_panel_21

KB_chagas_219

ID 1359

FC(F)(F)c1cc([C@H]2CCCN(Cc3c[nH]c4ccccc34)C2)nc2ncnn12

Formula: C20H19F3N6

MW: 400.41 | LogP: 4.00

TPSA: 62.11

Patterns:

Trifluoromethyl

Detail

Select ID 1427 DB Docking_panel_21

Z126938518

ID 1427

O=C(c1ccc(C(F)(F)F)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

Formula: C20H18F3N3O2

MW: 389.38 | LogP: 3.83

TPSA: 58.10

Patterns:

Trifluoromethyl

Detail

Select ID 1428 DB Docking_panel_21

ulfkktlib_1062

ID 1428

COC(=O)[C@H](C/C=N/Nc1nnc(Cl)c2ccccc12)NC(=O)C(F)(F)F

Formula: C15H13ClF3N5O3

MW: 403.75 | LogP: 2.29

TPSA: 105.57

Patterns:

Trifluoromethyl

Detail

Select ID 1507 DB Docking_panel_21

Z56821492

ID 1507

CCn1nc([N+](=O)O)c([C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)c(Cl)c1=O

Formula: C16H10ClF3N5O3S+

MW: 444.80 | LogP: 4.00

TPSA: 111.88

Patterns:

Trifluoromethyl

Detail

Select ID 1530 DB Docking_panel_21

Z57728352

ID 1530

O=c1cc(CO)oc([C@@H](Nc2cccc(C(F)(F)F)c2)c2ccccn2)c1O

Formula: C19H15F3N2O4

MW: 392.33 | LogP: 3.45

TPSA: 95.59

Patterns:

Trifluoromethyl

Detail

Select ID 1583 DB Docking_panel_21

ulfkktlib_2513

ID 1583

C[C@H](NC(=O)OC(C)(C)C)c1ccnc2cc(-c3cccc(C(F)(F)F)c3)nn12

Formula: C20H21F3N4O2

MW: 406.41 | LogP: 5.00

TPSA: 68.52

Patterns:

Trifluoromethyl

Detail

Select ID 1621 DB Docking_panel_21

OHD_Leishmania_77

ID 1621

FC(F)(F)c1cccc(/C=C/c2[nH+]c3ccccc3n2CNc2ccc[nH+]c2)c1

Formula: C22H19F3N4+2

MW: 396.42 | LogP: 4.53

TPSA: 45.24

Patterns:

Trifluoromethyl

Detail

Select ID 1676 DB Docking_panel_21

OHD_MAC_64

ID 1676

NNc1ncnc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12

Formula: C13H10F3N7O

MW: 337.27 | LogP: 2.35

TPSA: 110.87

Patterns:

Trifluoromethyl

Detail

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