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Murcko scaffold

Ring system with 3 rings and 17 atoms

9 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
9
With full pages
2
Scaffold SMILES

c1ccc(C2=Nc3ccccc3SCC2)cc1

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 c1ccc(C2=Nc3ccccc3SCC2)cc1

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 9 of 9 chemicals

4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine chemical structure, C16H14ClNS, CAS 78031-24-0
4-(4-Chlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
CAS 78031-24-0C16H14ClNS
2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine chemical structure, C16H15NS, CAS 74148-61-1
2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CAS 74148-61-1C16H15NS
4-(4-Fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine chemical structure, C16H14FNS, CAS 74148-64-4
4-(4-Fluorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine
CAS 74148-64-4C16H14FNS
4-Phenyl-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid chemical structure, C16H13NO2S, CAS 116274-69-2
4-Phenyl-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
CAS 116274-69-2C16H13NO2S
4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid chemical structure, C17H15NO2S, CAS 116274-70-5
4-(4-Methylphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
CAS 116274-70-5C17H15NO2S
4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid chemical structure, C16H12ClNO2S, CAS 116274-72-7
4-(4-Chlorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
CAS 116274-72-7C16H12ClNO2S
4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid chemical structure, C16H12FNO2S, CAS 853902-04-2
4-(4-Fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
CAS 853902-04-2C16H12FNO2S
4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid chemical structure, C17H15NO3S, CAS 116274-71-6
4-(4-Methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid
CAS 116274-71-6C17H15NO3S
2-Methyl-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine chemical structure, C17H17NS, CAS 74148-62-2
2-Methyl-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
CAS 74148-62-2C17H17NS