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Murcko scaffold

Ring system with 5 rings and 31 atoms

5 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
5
With full pages
2
Scaffold SMILES

c1ccc(CN(c2nn[nH]n2)C2CCCN(CC3CCCCC3)c3ccccc32)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(CN(c2nn[nH]n2)C2CCCN(CC3CCCCC3)c3ccccc32)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 5 of 5 chemicals

Evacetrapib chemical structure, C31H36F6N6O2, CAS 1186486-62-3
Evacetrapib
CAS 1186486-62-3C31H36F6N6O2
Evacetrapib monohydrate chemical structure, C31H38F6N6O3, CAS 1259393-05-9
Evacetrapib monohydrate
CAS 1259393-05-9C31H38F6N6O3
(1r,4r)-Methyl 4-((5-((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)-7,9-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)methyl)cyclohexanecarboxylate chemical structure, C32H38F6N6O2, CAS 2434642-57-4
(1r,4r)-Methyl 4-((5-((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)-7,9-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)methyl)cyclohexanecarboxylate
CAS 2434642-57-4C32H38F6N6O2
Evacetrapib (LY2484595) chemical structure, C31H36F6N6O2, CAS 2803369-80-2
Evacetrapib (LY2484595)
CAS 2803369-80-2C31H36F6N6O2
Methyl 4-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexane-1-carboxylate chemical structure, C32H38F6N6O2
Methyl 4-[[(5R)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexane-1-carboxylate
C32H38F6N6O2