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Murcko scaffold

Ring system with 6 rings and 37 atoms

4 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
37
Chemicals
4
With full pages
1
Scaffold SMILES

O=C1CNc2nc(Nc3ccc(C(=O)NC4CCC(N5CCN(CC6CC6)CC5)CC4)cc3)ncc2N1

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=C1CNc2nc(Nc3ccc(C(=O)NC4CCC(N5CCN(CC6CC6)CC5)CC4)cc3)ncc2N1

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 4 of 4 chemicals

Volasertib chemical structure, C34H50N8O3, CAS 755038-65-4
Volasertib
CAS 755038-65-4C34H50N8O3
Volasertib trihydrochloride chemical structure, C34H53Cl3N8O3, CAS 946161-17-7
Volasertib trihydrochloride
CAS 946161-17-7C34H53Cl3N8O3
N-[4-[4-(Cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-4-[(7-ethyl-7-hydroxy-5-methyl-6-oxo-8-propan-2-ylpteridin-2-yl)amino]-3-methoxybenzamide chemical structure, C34H50N8O4, CAS 1331770-20-7
N-[4-[4-(Cyclopropylmethyl)piperazin-1-yl]cyclohexyl]-4-[(7-ethyl-7-hydroxy-5-methyl-6-oxo-8-propan-2-ylpteridin-2-yl)amino]-3-methoxybenzamide
CAS 1331770-20-7C34H50N8O4
Volasertib trihydrochloride trihydrate chemical structure, C34H59Cl3N8O6, CAS 946161-18-8
Volasertib trihydrochloride trihydrate
CAS 946161-18-8C34H59Cl3N8O6