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Murcko scaffold

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone scaffold

4 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
4
With full pages
2
Scaffold SMILES

O=C(CSc1ncn[nH]1)c1ccc2c(c1)OCCO2

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffoldOpen the 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone page
Murcko scaffold O=C(CSc1ncn[nH]1)c1ccc2c(c1)OCCO2

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 4 of 4 chemicals

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone chemical structure, C12H11N3O3S, CAS 690646-70-9
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(1H-1,2,4-triazol-3-ylsulfanyl)ethanone
CAS 690646-70-9C12H11N3O3S
2-((5-Amino-1H-1,2,4-triazol-3-yl)thio)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone chemical structure, C12H12N4O3S, CAS 690643-24-4
2-((5-Amino-1H-1,2,4-triazol-3-yl)thio)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanone
CAS 690643-24-4C12H12N4O3S
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone chemical structure, C13H13N3O3S, CAS 725224-63-5
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CAS 725224-63-5C13H13N3O3S
Cathepsin X inhibitor Z9 chemical structure, C15H17N3O3S, CAS 849190-91-6
Cathepsin X inhibitor Z9
CAS 849190-91-6C15H17N3O3S