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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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9 results for Pattern / motif query
Pattern / motif 9 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: difluoromethyl Difluoromethyl
ID 17 DB Docking_panel_21
2D structure

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:

Difluoromethyl
Detail
ID 201 DB Docking_panel_21
2D structure

Z49976331

ID 201

C[C@@]1(c2ccc(OC(F)F)cc2)N=C(O)N(/N=C\c2c(O)ccc3ccccc23)C1=O

Formula: C22H17F2N3O4

MW: 425.39 | LogP: 4.15

TPSA: 94.72

Patterns:

Difluoromethyl
Detail
ID 290 DB Docking_panel_21
2D structure

Z57045660

ID 290

C/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1/N=C\c1ccc(OC(F)F)c(OC)c1

Formula: C21H18F4N4O4S

MW: 498.46 | LogP: 3.87

TPSA: 92.59

Patterns:

Difluoromethyl
Detail
ID 314 DB Docking_panel_21
2D structure

Z16284068

ID 314

CCOc1cc(/C=C2/N=C(S[C@@H](C)C(N)=O)N(c3ccc(OC(F)F)cc3)C2=O)ccc1O

Formula: C22H21F2N3O5S

MW: 477.49 | LogP: 3.74

TPSA: 114.45

Patterns:

Difluoromethyl
Detail
ID 458 ★ Native ligand DB Docking_panel_21
2D structure

5SD8

ID 458

CCc1nc(N)nc(N)c1OCCCOc1ccccc1C[C@H](C([O])=O)C(F)F

Formula: C19H23F2N4O4

MW: 409.41 | LogP: 2.43

TPSA: 133.25

Patterns:

Difluoromethyl
Detail
ID 1905 DB Docking_panel_21
2D structure

Z16284068

ID 1905

CCOc1cc(/C=C2\N=C(S[C@@H](C)C(N)=O)N(c3ccc(OC(F)F)cc3)C2=O)ccc1O

Formula: C22H21F2N3O5S

MW: 477.49 | LogP: 3.74

TPSA: 114.45

Patterns:

Difluoromethyl
Detail
ID 2124 DB Docking_panel_21
2D structure

Z25575620

ID 2124

Nn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(OC(F)F)cc1

Formula: C17H16F2N6O4S

MW: 438.42 | LogP: 1.97

TPSA: 137.30

Patterns:

Difluoromethyl
Detail
ID 2965 DB Docking_panel_21
2D structure

Z16284068

ID 2965

CCOc1cc(/C=C2\N=C(S[C@H](C)C(N)=O)N(c3ccc(OC(F)F)cc3)C2=O)ccc1O

Formula: C22H21F2N3O5S

MW: 477.49 | LogP: 3.74

TPSA: 114.45

Patterns:

Difluoromethyl
Detail
ID 3151 DB Docking_panel_21
2D structure

Z18316993

ID 3151

O=C(COc1cccc(Oc2ccccc2)c1)Nc1ccc(SC(F)F)cc1

Formula: C21H17F2NO3S

MW: 401.43 | LogP: 5.81

TPSA: 47.56

Patterns:

Difluoromethyl
Detail