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Murcko scaffold

Ring system with 5 rings and 29 atoms

11 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
11
With full pages
2
Scaffold SMILES

c1cc(-c2ccc3nc[nH]c3c2)nc(Nc2ccc(CN3CCNCC3)cn2)n1

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 c1cc(-c2ccc3nc[nH]c3c2)nc(Nc2ccc(CN3CCNCC3)cn2)n1

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 11 of 11 chemicals

Abemaciclib chemical structure, C27H32F2N8, CAS 1231929-97-7
Abemaciclib
CAS 1231929-97-7C27H32F2N8
Abemaciclib metabolite M2 chemical structure, C25H28F2N8, CAS 1231930-57-6
Abemaciclib metabolite M2
CAS 1231930-57-6C25H28F2N8
tert-Butyl 4-((6-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)amino)pyridin-3-yl)methyl)piperazine-1-carboxylate chemical structure, C30H36F2N8O2, CAS 1231930-48-5
tert-Butyl 4-((6-((5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyrimidin-2-yl)amino)pyridin-3-yl)methyl)piperazine-1-carboxylate
CAS 1231930-48-5C30H36F2N8O2
Abemaciclib mesylate chemical structure, C28H36F2N8O3S, CAS 1231930-82-7
Abemaciclib mesylate
CAS 1231930-82-7C28H36F2N8O3S
Abemaciclib-d8 chemical structure, C27H32F2N8, CAS 2088650-53-5
Abemaciclib-d8
CAS 2088650-53-5C27H32F2N8
Abemaciclib metabolite M20 chemical structure, C27H32F2N8O, CAS 2138499-06-4
Abemaciclib metabolite M20
CAS 2138499-06-4C27H32F2N8O
Abemaciclib-D5 chemical structure, C27H32F2N8, CAS 1809251-51-1
Abemaciclib-D5
CAS 1809251-51-1C27H32F2N8
Abemaciclib metabolite M18 chemical structure, C25H28F2N8O, CAS 2704316-81-2
Abemaciclib metabolite M18
CAS 2704316-81-2C25H28F2N8O
Abemaciclib metabolite M18 (hydrochloride) chemical structure, C25H29ClF2N8O, CAS 2704316-82-3
Abemaciclib metabolite M18 (hydrochloride)
CAS 2704316-82-3C25H29ClF2N8O
Abemaciclib nitroso metabolites M2 chemical structure, C25H27F2N9O, CAS 3104323-43-2
Abemaciclib nitroso metabolites M2
CAS 3104323-43-2C25H27F2N9O
Di N-oxide abemaciclib chemical structure, C27H32F2N8O2, CAS 3110019-32-1
Di N-oxide abemaciclib
CAS 3110019-32-1C27H32F2N8O2