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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 144 Samples 0
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5 results for Pattern / motif query
Pattern / motif 5 results DB demo
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Pattern registry Vnos: imidazole Imidazole
ID 155 DB demo
2D structure

OHD_TB2020_34

ID 155

CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3ccc(Cl)nc3[nH]2)c1=O

Formula: C20H19Cl2N5O2

MW: 432.31 | LogP: 3.90

TPSA: 77.73

Patterns:

Imidazole
Detail
ID 274 DB demo
2D structure

OHD_TB2020_31

ID 274

O=c1n(Cc2nc3ccc(Cl)nc3[nH]2)cc(Cc2ccc(Cl)cc2Cl)n1CC(F)F

Formula: C19H14Cl3F2N5O

MW: 472.71 | LogP: 4.79

TPSA: 68.50

Patterns:

Imidazole
Detail
ID 554 DB demo
2D structure

KB_Leish_39

ID 554

CC[N@@H+](Cc1nc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2[nH]1)[C@H]1CCCc2cccnc21

Formula: C28H33N8O+

MW: 497.63 | LogP: 2.19

TPSA: 95.34

Patterns:

Imidazole
Detail
ID 2067 DB demo
2D structure

Z223039568

ID 2067

COc1ccc2nc(SCC(=O)Nc3ccccc3Cl)[nH]c2c1

Formula: C16H14ClN3O2S

MW: 347.83 | LogP: 3.96

TPSA: 67.01

Patterns:

Imidazole
Detail
ID 3820 DB demo
2D structure

Z56935326

ID 3820

Oc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)c1

Formula: C33H24N2O

MW: 464.57 | LogP: 8.45

TPSA: 48.91

Patterns:

Imidazole
Detail