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Regex Pattern / motif 133 results

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133 results for Pattern / motif query

Cards

Pattern / motif 133 results DB fairmol

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Query interpretation

Pattern registry Vnos: trifluoromethyl Trifluoromethyl

Select ID 207 DB fairmol

Z15584023

ID 207

O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Nc1ccc(C(F)(F)F)cc1

Formula: C21H14F3N3O2S2

MW: 461.49 | LogP: 5.40

TPSA: 74.85

Patterns:

Trifluoromethyl

Detail

Select ID 511 DB fairmol

OHD_MAC_67

ID 511

Oc1ccc(/C=[NH+]/N=c2\nc[nH]c3c(Nc4ccc(Cl)c(C(F)(F)F)c4)[nH+]cnc23)cc1O

Formula: C20H15ClF3N7O2+2

MW: 477.83 | LogP: 1.61

TPSA: 134.53

Patterns:

Trifluoromethyl

Detail

Select ID 520 DB fairmol

OHD_MAC_65

ID 520

Oc1ccccc1/C=N/Nc1ncnc2c(Nc3ccc(Cl)c(C(F)(F)F)c3)ncnc12

Formula: C20H13ClF3N7O

MW: 459.82 | LogP: 4.99

TPSA: 108.21

Patterns:

Trifluoromethyl

Detail

Select ID 539 DB fairmol

OHD_MAC_61

ID 539

Oc1cc(/C=[NH+]/N=c2\[nH]cnc3c(Nc4ccc(OC(F)(F)F)cc4)[nH+]cnc23)cc(O)c1O

Formula: C20H16F3N7O4+2

MW: 475.39 | LogP: 0.55

TPSA: 163.99

Patterns:

Trifluoromethyl

Detail

Select ID 541 DB fairmol

OHD_MAC_68

ID 541

Oc1cc(/C=N/Nc2ncnc3c(Nc4ccc(Cl)c(C(F)(F)F)c4)ncnc23)cc(O)c1O

Formula: C20H13ClF3N7O3

MW: 491.82 | LogP: 4.40

TPSA: 148.67

Patterns:

Trifluoromethyl

Detail

Select ID 545 DB fairmol

OHD_TB2020_3

ID 545

COc1ccc2nc(C(F)(F)F)n(CC(=O)N3C[C@H]([NH2+][C@H]4CCOC4)CC[C@H]3c3nc(-c4cc5ccccc5nc4OC)c[nH]3)c2c1

Formula: C33H35F3N7O4+

MW: 650.68 | LogP: 4.10

TPSA: 124.00

Patterns:

Trifluoromethyl

Detail

Select ID 564 DB fairmol

OHD_TB2020_2

ID 564

COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[C@H]([NH2+][C@H]4CCOC4)C[C@H]3c3nc(-c4cc5ccccc5nc4OC)c[nH]3)c2c1

Formula: C33H35F3N7O4+

MW: 650.68 | LogP: 4.10

TPSA: 124.00

Patterns:

Trifluoromethyl

Detail

Select ID 581 DB fairmol

OHD_TB2020_1

ID 581

COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[C@H]([NH2+]C[C@H]4CCOC4)C[C@H]3c3ncc(-c4cc5ccccc5nc4OC)[nH]3)c2c1

Formula: C34H37F3N7O4+

MW: 664.71 | LogP: 4.34

TPSA: 124.00

Patterns:

Trifluoromethyl

Detail

Select ID 598 DB fairmol

OHD_MAC_63

ID 598

COc1cc(/C=[NH+]/Nc2ncnc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)ccc1O

Formula: C21H17F3N7O3+

MW: 472.41 | LogP: 2.30

TPSA: 128.28

Patterns:

Trifluoromethyl

Detail

Select ID 601 DB fairmol

OHD_TB2020_4

ID 601

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 623 DB fairmol

OHD_Babesia_49

ID 623

CN1CCN(C(=O)c2cn(C3CC3)c3cc(N4CC[NH+](Cc5cn(Cc6ccc(C(F)(F)F)cc6)nn5)CC4)c(F)cc3c2=O)CC1

Formula: C33H37F4N8O2+

MW: 653.70 | LogP: 2.43

TPSA: 83.94

Patterns:

Trifluoromethyl

Detail

Select ID 761 DB fairmol

OHD_Leishmania_122

ID 761

CC1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)c1c(C)nn(-c2ccccc2)c1O

Formula: C28H23F3N4O2

MW: 504.51 | LogP: 6.08

TPSA: 70.72

Patterns:

Trifluoromethyl

Detail

Select ID 853 DB fairmol

OHD_MAC_69

ID 853

COc1cc(/C=N/Nc2ncnc3c(Nc4ccc(Cl)c(C(F)(F)F)c4)ncnc23)cc(OC)c1OC

Formula: C23H19ClF3N7O3

MW: 533.90 | LogP: 5.31

TPSA: 115.67

Patterns:

Trifluoromethyl

Detail

Select ID 869 DB fairmol

OHD_TB2020_5

ID 869

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

Formula: C31H30F3N7O3

MW: 605.62 | LogP: 5.37

TPSA: 101.40

Patterns:

Trifluoromethyl

Detail

Select ID 884 DB fairmol

OHD_MAC_66

ID 884

COc1ccc(/C=N/Nc2ncnc3c(Nc4ccc(Cl)c(C(F)(F)F)c4)ncnc23)cc1O

Formula: C21H15ClF3N7O2

MW: 489.85 | LogP: 5.00

TPSA: 117.44

Patterns:

Trifluoromethyl

Detail

Select ID 897 DB fairmol

OHD_TB2021_62

ID 897

NC(=[NH2+])c1ccc(OCCCCCOc2ccc(C(=[NH2+])Nc3ccc(C(F)(F)F)cc3)cc2)cc1

Formula: C26H29F3N4O2+2

MW: 486.54 | LogP: 2.42

TPSA: 107.69

Patterns:

Trifluoromethyl

Detail

Select ID 920 DB fairmol

Z56808903

ID 920

Cc1cccc(N[C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)n1

Formula: C23H18F3N3O

MW: 409.41 | LogP: 5.86

TPSA: 58.04

Patterns:

Trifluoromethyl

Detail

Select ID 934 DB fairmol

OHD_TB2020_1

ID 934

COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[C@H]([NH2+]C[C@@H]4CCOC4)C[C@H]3c3[nH]c(-c4cc5ccccc5nc4OC)c[nH+]3)c2c1

Formula: C34H38F3N7O4+2

MW: 665.72 | LogP: 3.76

TPSA: 125.25

Patterns:

Trifluoromethyl

Detail

Select ID 1006 DB fairmol

OHD_Babesia_51

ID 1006

O=C(O)c1cn(C2CC2)c2cc(N3CCN(Cc4cn(Cc5ccc(C(F)(F)F)cc5)nn4)CC3)c(F)cc2c1=O

Formula: C28H26F4N6O3

MW: 570.55 | LogP: 4.15

TPSA: 96.49

Patterns:

Trifluoromethyl

Detail

Select ID 1017 DB fairmol

OHD_TB2020_4

ID 1017

COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[N@H+](C[C@@H]4CCOC4)CC[C@@H]3c3[nH]c(-c4cc5ccccc5nc4OC)c[nH+]3)c2c1

Formula: C34H38F3N7O4+2

MW: 665.72 | LogP: 3.32

TPSA: 113.08

Patterns:

Trifluoromethyl

Detail

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