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Regex Pattern / motif 68 results

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68 results for Pattern / motif query

Cards

Pattern / motif 68 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: dienophile Dienophile

Select ID 11 DB Docking_panel_21

OHD_TbNat_17

ID 11

COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(O)c(OC)c2)ccc1O

Formula: C21H20O6

MW: 368.39 | LogP: 3.85

TPSA: 96.22

Patterns:

Dienophile

Detail

Select ID 89 DB Docking_panel_21

Z56789391

ID 89

O=C1C=C/C(=C(\O)N/N=C/c2sc3ccccc3c2O)C(O)=C1

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.88

TPSA: 102.15

Patterns:

Dienophile

Detail

Select ID 137 DB Docking_panel_21

Z104500108

ID 137

COc1cc(/C=C\C(O)=C\C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O

Formula: C21H20O6

MW: 368.39 | LogP: 3.85

TPSA: 96.22

Patterns:

Dienophile

Detail

Select ID 177 DB Docking_panel_21

OHD_TB2021_102

ID 177

CC1(C)C=C(N2CCCC2)C=CN1CCCNc1cc[nH+]c2cc(Cl)ccc12

Formula: C23H30ClN4+

MW: 397.97 | LogP: 4.70

TPSA: 32.65

Patterns:

Dienophile

Detail

Select ID 338 DB Docking_panel_21

OSA_Lib_314

ID 338

CC1(C)C=C(N2CCCC2)C=CN1CC(=O)N1C[C@@H]2[C@@H](c3ccccc3)C[C@@]([NH+]3CCCC3)(C[C@H]2c2ccccc2)C1

Formula: C37H49N4O+

MW: 565.83 | LogP: 4.81

TPSA: 31.23

Patterns:

Dienophile

Detail

Select ID 371 DB Docking_panel_21

OHD_TC1_12

ID 371

CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccncc2)C2=C(O)C[C@@H](c3ccc(Br)cc3)C=C2N1

Formula: C30H27BrN2O3

MW: 543.46 | LogP: 6.47

TPSA: 71.45

Patterns:

Dienophile

Detail

Select ID 386 DB Docking_panel_21

OHD_TbNat_105

ID 386

CC1(C)C=CC2=C(O1)C(=O)c1c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O

Formula: C21H22O10

MW: 434.40 | LogP: -0.43

TPSA: 162.98

Patterns:

Dienophile

Detail

Select ID 515 DB Docking_panel_21

Z104500108

ID 515

COc1cc(/C=C\C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O

Formula: C21H20O6

MW: 368.39 | LogP: 3.85

TPSA: 96.22

Patterns:

Dienophile

Detail

Select ID 519 DB Docking_panel_21

OHD_Leishmania_402

ID 519

CC1=C[C@@](O)(C[C@H](C)[C@]2(C)CC=C3C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Dienophile

Detail

Select ID 543 DB Docking_panel_21

OHD_Leishmania_403

ID 543

CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC[C@@H]3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Dienophile

Detail

Select ID 714 DB Docking_panel_21

OHD_TC1_12

ID 714

CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccncc2)C2=C(O)C[C@H](c3ccc(Br)cc3)C=C2N1

Formula: C30H27BrN2O3

MW: 543.46 | LogP: 6.47

TPSA: 71.45

Patterns:

Dienophile

Detail

Select ID 733 DB Docking_panel_21

OSA_Lib_311

ID 733

CC1(C)C=C(N2CCCCC2)C=CN1Cc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc4)C[C@]([NH+]4CCCC4)(C[C@H]3c3ccccc3)C2)cc1

Formula: C44H55N4O+

MW: 655.95 | LogP: 7.02

TPSA: 31.23

Patterns:

Dienophile

Detail

Select ID 752 DB Docking_panel_21

OSA_Lib_313

ID 752

CC1(C)C=C(N2CCCCC2)C=CN1CC(=O)N1C[C@H]2[C@@H](c3ccccc3)C[C@]([NH+]3CCCC3)(C[C@H]2c2ccccc2)C1

Formula: C38H51N4O+

MW: 579.85 | LogP: 5.20

TPSA: 31.23

Patterns:

Dienophile

Detail

Select ID 895 DB Docking_panel_21

Z49630608

ID 895

CC(C)c1ccc(/C=N/N/C(O)=C2/C=CC=CC2=O)cc1

Formula: C17H18N2O2

MW: 282.34 | LogP: 3.20

TPSA: 61.69

Patterns:

Dienophile

Detail

Select ID 918 DB Docking_panel_21

Z49630783

ID 918

Cc1c(/C=N/N/C(O)=C2/C=CC=CC2=O)c2ccccn2c1C(=O)c1ccc(F)cc1

Formula: C24H18FN3O3

MW: 415.42 | LogP: 4.01

TPSA: 83.17

Patterns:

Dienophile

Detail

Select ID 1133 DB Docking_panel_21

Z89313660

ID 1133

O=C(NCc1cccc(Cl)c1)C1=CC=CN2CCS(=O)(=O)N=C12

Formula: C15H14ClN3O3S

MW: 351.82 | LogP: 1.45

TPSA: 78.84

Patterns:

Dienophile

Detail

Select ID 1136 DB Docking_panel_21

Z49580011

ID 1136

O=C1C=CC(Br)=C/C1=C\N/N=C(\O)COc1ccc(Cl)cc1Cl

Formula: C15H11BrCl2N2O3

MW: 418.07 | LogP: 4.13

TPSA: 70.92

Patterns:

Dienophile

Detail

Select ID 1404 DB Docking_panel_21

OHD_TB2021_102

ID 1404

CC1(C)C=C(N2CCCC2)C=CN1CCCNc1ccnc2cc(Cl)ccc12

Formula: C23H29ClN4

MW: 396.97 | LogP: 5.28

TPSA: 31.40

Patterns:

Dienophile

Detail

Select ID 1489 DB Docking_panel_21

Z45580478

ID 1489

O=S(=O)(/N=C1\C=CC=C\C1=C(\O)Nc1ccccc1)c1ccc(Cl)s1

Formula: C17H13ClN2O3S2

MW: 392.89 | LogP: 4.54

TPSA: 78.76

Patterns:

Dienophile

Detail

Select ID 1499 DB Docking_panel_21

Z56575886

ID 1499

O=S(=O)(/N=C1\C=CC=C\C1=C(/O)Nc1ccccc1Cc1ccccc1)c1ccc(Cl)s1

Formula: C24H19ClN2O3S2

MW: 483.01 | LogP: 6.13

TPSA: 78.76

Patterns:

Dienophile

Detail

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