CompoundList
Sign in
Murcko scaffold

Ring system with 4 rings and 20 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
20
Chemicals
4
With full pages
1
Scaffold SMILES

O=C1c2ccccc2C(=O)N1c1ccc2ncsc2c1

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 scaffold
Murcko scaffold O=C1c2ccccc2C(=O)N1c1ccc2ncsc2c1

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

2-(2-(Methylthio)-1,3-benzothiazol-6-yl)-1H-isoindole-1,3(2H)-dione chemical structure, C16H10N2O2S2, CAS 101278-75-5
2-(2-(Methylthio)-1,3-benzothiazol-6-yl)-1H-isoindole-1,3(2H)-dione
CAS 101278-75-5C16H10N2O2S2
2-[2-(2-Oxopropylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione chemical structure, C18H12N2O3S2, CAS 500265-07-6
2-[2-(2-Oxopropylsulfanyl)-1,3-benzothiazol-6-yl]isoindole-1,3-dione
CAS 500265-07-6C18H12N2O3S2
2-[[6-(1,3-Dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]-N,N-dimethylacetamide chemical structure, C19H15N3O3S2, CAS 500265-09-8
2-[[6-(1,3-Dioxoisoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CAS 500265-09-8C19H15N3O3S2
3-{[6-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}propanoic acid chemical structure, C18H12N2O4S2, CAS 354121-50-9
3-{[6-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}propanoic acid
CAS 354121-50-9C18H12N2O4S2