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Murcko scaffold

Ring system with 3 rings and 28 atoms

18 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
28
Chemicals
18
With full pages
5
Scaffold SMILES

O=C(COC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1)Nc1ccccc1

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=C(COC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1)Nc1ccccc1

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 18 of 18 chemicals

2-((4-Bromophenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate chemical structure, C19H18BrN3O5S, CAS 942032-66-8
2-((4-Bromophenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate
CAS 942032-66-8C19H18BrN3O5S
2-((2-Ethoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)-3,3-dimethylbutanoate chemical structure, C23H27N3O6S, CAS 896703-81-4
2-((2-Ethoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)-3,3-dimethylbutanoate
CAS 896703-81-4C23H27N3O6S
Ethyl 2-[({[4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetyl)amino]benzoate chemical structure, C24H27N3O7S, CAS 896703-90-5
Ethyl 2-[({[4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoyl]oxy}acetyl)amino]benzoate
CAS 896703-90-5C24H27N3O7S
2-[(5-Chloro-2-methoxyphenyl)amino]-2-oxoethyl 4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate chemical structure, C22H24ClN3O6S, CAS 896704-24-8
2-[(5-Chloro-2-methoxyphenyl)amino]-2-oxoethyl 4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-3,3-dimethylbutanoate
CAS 896704-24-8C22H24ClN3O6S
2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate chemical structure, C21H23N3O5S, CAS 895648-47-2
2-((3,4-Dimethylphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate
CAS 895648-47-2C21H23N3O5S
2-((5-Chloro-2-methoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate chemical structure, C20H20ClN3O6S, CAS 895648-53-0
2-((5-Chloro-2-methoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate
CAS 895648-53-0C20H20ClN3O6S
2-((3-Chloro-4-methoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate chemical structure, C20H20ClN3O6S, CAS 895648-65-4
2-((3-Chloro-4-methoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate
CAS 895648-65-4C20H20ClN3O6S
2-((3,5-Dimethoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate chemical structure, C21H23N3O7S, CAS 895648-68-7
2-((3,5-Dimethoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate
CAS 895648-68-7C21H23N3O7S
2-((3-Methoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate chemical structure, C20H21N3O6S, CAS 895648-70-1
2-((3-Methoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate
CAS 895648-70-1C20H21N3O6S
2-((4-Ethoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)-3-methylbutanoate chemical structure, C22H25N3O6S, CAS 899356-45-7
2-((4-Ethoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)-3-methylbutanoate
CAS 899356-45-7C22H25N3O6S
2-[(4-Ethoxyphenyl)amino]-2-oxoethyl 4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)butanoate chemical structure, C21H23N3O6S, CAS 942001-02-7
2-[(4-Ethoxyphenyl)amino]-2-oxoethyl 4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)butanoate
CAS 942001-02-7C21H23N3O6S
Ethyl 2-[({[4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)butanoyl]oxy}acetyl)amino]benzoate chemical structure, C22H23N3O7S, CAS 941900-11-4
Ethyl 2-[({[4-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)butanoyl]oxy}acetyl)amino]benzoate
CAS 941900-11-4C22H23N3O7S
2-((4-Chloro-2-fluorophenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate chemical structure, C19H17ClFN3O5S, CAS 942001-05-0
2-((4-Chloro-2-fluorophenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate
CAS 942001-05-0C19H17ClFN3O5S
2-((3-Fluoro-4-methylphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate chemical structure, C20H20FN3O5S, CAS 941944-71-4
2-((3-Fluoro-4-methylphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate
CAS 941944-71-4C20H20FN3O5S
2-((3-Chloro-4-fluorophenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate chemical structure, C19H17ClFN3O5S, CAS 941900-14-7
2-((3-Chloro-4-fluorophenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate
CAS 941900-14-7C19H17ClFN3O5S
2-(Ethyl(m-tolyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)-3-methylbutanoate chemical structure, C23H27N3O5S, CAS 941900-18-1
2-(Ethyl(m-tolyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)-3-methylbutanoate
CAS 941900-18-1C23H27N3O5S
2-((2-Ethylphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate chemical structure, C21H23N3O5S, CAS 899976-21-7
2-((2-Ethylphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-2H-benzo[e][1,2,4]thiadiazin-3-yl)butanoate
CAS 899976-21-7C21H23N3O5S
2-((2-Ethoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)-3-methylbutanoate chemical structure, C22H25N3O6S, CAS 2034301-41-0
2-((2-Ethoxyphenyl)amino)-2-oxoethyl 4-(1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)-3-methylbutanoate
CAS 2034301-41-0C22H25N3O6S