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Murcko scaffold

Xg076 scaffold

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
6
With full pages
3
Scaffold SMILES

O=c1c2cccnc2sn1-c1ccccc1

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 Xg076 page
Murcko scaffold O=c1c2cccnc2sn1-c1ccccc1

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 6 of 6 chemicals

Xg076 chemical structure, C12H8N2OS, CAS 104857-27-4
Xg076
CAS 104857-27-4C12H8N2OS
2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one chemical structure, C13H10N2O2S, CAS 104857-29-6
2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
CAS 104857-29-6C13H10N2O2S
2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one chemical structure, C16H16N2OS, CAS 907957-34-0
2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
CAS 907957-34-0C16H16N2OS
2-(4-Methoxyphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one chemical structure, C14H12N2O2S, CAS 908069-17-0
2-(4-Methoxyphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one
CAS 908069-17-0C14H12N2O2S
Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)benzoate chemical structure, C14H10N2O3S, CAS 158093-90-4
Methyl 4-(3-oxoisothiazolo[5,4-b]pyridin-2(3H)-yl)benzoate
CAS 158093-90-4C14H10N2O3S
2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one chemical structure, C12H7FN2OS, CAS 158093-65-3
2-(4-Fluorophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one
CAS 158093-65-3C12H7FN2OS