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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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5 results for Pattern / motif query
Pattern / motif 5 results DB fairmol
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Pattern registry Vnos: dioxane Dioxane
ID 997 DB fairmol
2D structure

Z56775559

ID 997

C/C(=N/NC(=O)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(/C(O)=N/N=C(\C)c3ccncc3)cc2)cc1)c1ccncc1

Formula: C32H30N6O6

MW: 594.63 | LogP: 4.52

TPSA: 149.11

Patterns:

Dioxane
Detail
ID 3550 DB fairmol
2D structure

ulfkktlib_1033

ID 3550

CC1(C)OC[C@H]([C@H](O)[C@H]2OC(C)(C)C(C)(C)O[C@@H]2c2nnc3ccc(Cl)nn23)O1

Formula: C19H27ClN4O5

MW: 426.90 | LogP: 2.30

TPSA: 100.23

Patterns:

Dioxane
Detail
ID 4044 DB fairmol
2D structure

Z56775559

ID 4044

C/C(=N/NC(=O)c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C(\C)c3ccncc3)cc2)cc1)c1ccncc1

Formula: C32H30N6O6

MW: 594.63 | LogP: 3.94

TPSA: 145.62

Patterns:

Dioxane
Detail
ID 4248 DB fairmol
2D structure

Z2691943589

ID 4248

CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O

Formula: C14H24N2O7

MW: 332.35 | LogP: -2.93

TPSA: 129.51

Patterns:

Dioxane
Detail
ID 4258 DB fairmol
2D structure

Z56775559

ID 4258

C/C(=N/NC(=O)c1ccc(O[C@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C(/C)c3ccncc3)cc2)cc1)c1ccncc1

Formula: C32H30N6O6

MW: 594.63 | LogP: 3.94

TPSA: 145.62

Patterns:

Dioxane
Detail