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Murcko scaffold

Ring system with 3 rings and 20 atoms

7 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
7
With full pages
1
Scaffold SMILES

O=C1CC(c2ccccc2)S(=O)(=O)c2ccccc2N1

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=C1CC(c2ccccc2)S(=O)(=O)c2ccccc2N1

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 7 of 7 chemicals

2-(3,4-Dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide chemical structure, C17H17NO5S, CAS 863452-63-5
2-(3,4-Dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one 1,1-dioxide
CAS 863452-63-5C17H17NO5S
5-Methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide chemical structure, C16H15NO3S, CAS 145603-20-9
5-Methyl-2-phenyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
CAS 145603-20-9C16H15NO3S
2-(1,1-Dioxido-4-oxo-2-phenyl-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetamide chemical structure, C17H16N2O4S, CAS 852451-81-1
2-(1,1-Dioxido-4-oxo-2-phenyl-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetamide
CAS 852451-81-1C17H16N2O4S
2-(3,4-Dimethoxyphenyl)-5-methyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide chemical structure, C18H19NO5S, CAS 863452-39-5
2-(3,4-Dimethoxyphenyl)-5-methyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
CAS 863452-39-5C18H19NO5S
2-(3,4-Dimethoxyphenyl)-5-ethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide chemical structure, C19H21NO5S, CAS 863452-40-8
2-(3,4-Dimethoxyphenyl)-5-ethyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
CAS 863452-40-8C19H21NO5S
2-(3,4-Dimethoxyphenyl)-5-propyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide chemical structure, C20H23NO5S, CAS 863452-41-9
2-(3,4-Dimethoxyphenyl)-5-propyl-2,3-dihydrobenzo[b][1,4]thiazepin-4(5H)-one 1,1-dioxide
CAS 863452-41-9C20H23NO5S
Ethyl 2-(2-(2-(3,4-dimethoxyphenyl)-1,1-dioxido-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetamido)acetate chemical structure, C23H26N2O8S, CAS 863452-55-5
Ethyl 2-(2-(2-(3,4-dimethoxyphenyl)-1,1-dioxido-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetamido)acetate
CAS 863452-55-5C23H26N2O8S