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Murcko scaffold

Ring system with 4 rings and 26 atoms

3 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
3
With full pages
1
Scaffold SMILES

O=c1c2ccccc2n(Cc2ccccc2)c(=O)n1CC1CCCCC1

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=c1c2ccccc2n(Cc2ccccc2)c(=O)n1CC1CCCCC1

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 3 of 3 chemicals

Cyclohexanecarboxylic acid, 4-[[1-[[2-cyano-3-(trifluoromethyl)phenyl]methyl]-1,4-dihydro-2,4-dioxo-3(2H)-quinazolinyl]methyl]-, trans- chemical structure, C25H22F3N3O4, CAS 1498300-28-9
Cyclohexanecarboxylic acid, 4-[[1-[[2-cyano-3-(trifluoromethyl)phenyl]methyl]-1,4-dihydro-2,4-dioxo-3(2H)-quinazolinyl]methyl]-, trans-
CAS 1498300-28-9C25H22F3N3O4
Tnks1/2-IN-1 chemical structure, C26H23F4N3O4, CAS 1498300-31-4
Tnks1/2-IN-1
CAS 1498300-31-4C26H23F4N3O4
Cyclohexanecarboxylic acid, 4-[[1-[[2-cyano-3-(trifluoromethyl)phenyl]methyl]-1,4-dihydro-5-methyl-2,4-dioxo-3(2H)-quinazolinyl]methyl]-, trans- chemical structure, C26H24F3N3O4, CAS 1498300-35-8
Cyclohexanecarboxylic acid, 4-[[1-[[2-cyano-3-(trifluoromethyl)phenyl]methyl]-1,4-dihydro-5-methyl-2,4-dioxo-3(2H)-quinazolinyl]methyl]-, trans-
CAS 1498300-35-8C26H24F3N3O4