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Murcko scaffold

Ring system with 3 rings and 17 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
6
With full pages
1
Scaffold SMILES

C1=CC(c2ccccc2)=Cc2ccccc2S1

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 C1=CC(c2ccccc2)=Cc2ccccc2S1

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

1-Benzothiepin, 3,5-dimethoxy-4-phenyl- chemical structure, C18H16O2S, CAS 57458-94-3
1-Benzothiepin, 3,5-dimethoxy-4-phenyl-
CAS 57458-94-3C18H16O2S
3-Ethyl-4-methyl-pyrrole-2,5-dicarboxylic acid 5-benzyl ester 2-methyl chemical structure, C19H13NO2S, CAS 5866-53-5
3-Ethyl-4-methyl-pyrrole-2,5-dicarboxylic acid 5-benzyl ester 2-methyl
CAS 5866-53-5C19H13NO2S
3,5-Dimethoxy-2-methyl-4-phenyl-1-benzothiepine chemical structure, C19H18O2S, CAS 72262-60-3
3,5-Dimethoxy-2-methyl-4-phenyl-1-benzothiepine
CAS 72262-60-3C19H18O2S
Acetic acid--5-methoxy-4-phenyl-1-benzothiepin-3-ol (1/1) chemical structure, C19H18O4S, CAS 37014-56-5
Acetic acid--5-methoxy-4-phenyl-1-benzothiepin-3-ol (1/1)
CAS 37014-56-5C19H18O4S
Acetic acid--5-methoxy-2-methyl-4-phenyl-1-benzothiepin-3-ol (1/1) chemical structure, C20H20O4S, CAS 72262-59-0
Acetic acid--5-methoxy-2-methyl-4-phenyl-1-benzothiepin-3-ol (1/1)
CAS 72262-59-0C20H20O4S
Acetic acid--2-methyl-4-phenyl-1-benzothiepine-3,5-diol (2/1) chemical structure, C21H22O6S, CAS 72262-58-9
Acetic acid--2-methyl-4-phenyl-1-benzothiepine-3,5-diol (2/1)
CAS 72262-58-9C21H22O6S