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Murcko scaffold

Ring system with 4 rings and 24 atoms

6 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
6
With full pages
2
Scaffold SMILES

O=C1C=C(C2CCC(c3ccccc3)CC2)C(=O)c2ccccc21

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=C1C=C(C2CCC(c3ccccc3)CC2)C(=O)c2ccccc21

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

1,4-Naphthalenedione, 2-chloro-3-[cis-4-(4-chlorophenyl)cyclohexyl]- chemical structure, C22H18Cl2O2, CAS 153977-22-1
1,4-Naphthalenedione, 2-chloro-3-[cis-4-(4-chlorophenyl)cyclohexyl]-
CAS 153977-22-1C22H18Cl2O2
Atovaquone, acetate chemical structure, C24H21ClO4, CAS 129700-44-3
Atovaquone, acetate
CAS 129700-44-3C24H21ClO4
O-Methyl atovaquone chemical structure, C23H21ClO3, CAS 129700-41-0
O-Methyl atovaquone
CAS 129700-41-0C23H21ClO3
2-((1R,4r)-4-(4-Chlorophenyl)cyclohexyl)naphthalene-1,4-dione chemical structure, C22H19ClO2, CAS 1100053-58-4
2-((1R,4r)-4-(4-Chlorophenyl)cyclohexyl)naphthalene-1,4-dione
CAS 1100053-58-4C22H19ClO2
2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl-d5]-1,4-naphthalenedione chemical structure, C22H18Cl2O2, CAS 1189507-64-9
2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl-d5]-1,4-naphthalenedione
CAS 1189507-64-9C22H18Cl2O2
2-Bromo-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione (Major) chemical structure, C22H18BrClO2, CAS 1562033-02-6
2-Bromo-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione (Major)
CAS 1562033-02-6C22H18BrClO2