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Murcko scaffold

Ring system with 4 rings and 28 atoms

17 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
28
Chemicals
17
With full pages
3
Scaffold SMILES

O=C(Cc1ccccc1)Nc1cnc(N2CCNCC2)cc1-c1ccccc1

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=C(Cc1ccccc1)Nc1cnc(N2CCNCC2)cc1-c1ccccc1

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 17 of 17 chemicals

Netupitant chemical structure, C30H32F6N4O, CAS 290297-26-6
Netupitant
CAS 290297-26-6C30H32F6N4O
N-Desmethyl netupitant chemical structure, C29H30F6N4O, CAS 290296-72-9
N-Desmethyl netupitant
CAS 290296-72-9C29H30F6N4O
Monohydroxy netupitant chemical structure, C30H32F6N4O2, CAS 910808-12-7
Monohydroxy netupitant
CAS 910808-12-7C30H32F6N4O2
Netupitant N-oxide chemical structure, C30H32F6N4O2, CAS 910808-11-6
Netupitant N-oxide
CAS 910808-11-6C30H32F6N4O2
Fosnetupitant chemical structure, C31H35F6N4O5P, CAS 1703748-89-3
Fosnetupitant
CAS 1703748-89-3C31H35F6N4O5P
Pronetupitant chemical structure, C31H36F6N4O5P+, CAS 1431216-59-9
Pronetupitant
CAS 1431216-59-9C31H36F6N4O5P+
5-(2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-2-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridine 1-oxide chemical structure, C30H32F6N4O2, CAS 1431216-62-4
5-(2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-2-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridine 1-oxide
CAS 1431216-62-4C30H32F6N4O2
4-(5-(2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-1-oxido-4-(o-tolyl)pyridin-2-yl)-1-methylpiperazine 1-oxide chemical structure, C30H32F6N4O3, CAS 1431216-60-2
4-(5-(2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-1-oxido-4-(o-tolyl)pyridin-2-yl)-1-methylpiperazine 1-oxide
CAS 1431216-60-2C30H32F6N4O3
1-(5-(2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-1-oxido-4-(o-tolyl)pyridin-2-yl)-4-methylpiperazine 1-oxide chemical structure, C30H32F6N4O3, CAS 1431216-64-6
1-(5-(2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-1-oxido-4-(o-tolyl)pyridin-2-yl)-4-methylpiperazine 1-oxide
CAS 1431216-64-6C30H32F6N4O3
1-(5-(2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)pyridin-2-yl)-4-methylpiperazine 1,4-dioxide chemical structure, C30H32F6N4O3, CAS 1431216-61-3
1-(5-(2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)pyridin-2-yl)-4-methylpiperazine 1,4-dioxide
CAS 1431216-61-3C30H32F6N4O3
Fosnetupitant chloride hydrochloride chemical structure, C31H37Cl2F6N4O5P, CAS 1643757-72-5
Fosnetupitant chloride hydrochloride
CAS 1643757-72-5C31H37Cl2F6N4O5P
1-(5-(2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)pyridin-2-yl)-4-methylpiperazine 1-oxide chemical structure, C30H32F6N4O2, CAS 1431216-63-5
1-(5-(2-(3,5-Bis(trifluoromethyl)phenyl)-N,2-dimethylpropanamido)-4-(o-tolyl)pyridin-2-yl)-4-methylpiperazine 1-oxide
CAS 1431216-63-5C30H32F6N4O2
Netupitant-d6 chemical structure, C30H32F6N4O, CAS 2070015-31-3
Netupitant-d6
CAS 2070015-31-3C30H32F6N4O
Netupitant dihydrochloride chemical structure, C30H34Cl2F6N4O, CAS 290296-54-7
Netupitant dihydrochloride
CAS 290296-54-7C30H34Cl2F6N4O
2-(3,5-Bis(trifluoromethyl)phenyl)-2-methyl-N-(6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridin-3-yl)propanamide chemical structure, C29H30F6N4O, CAS 3017145-54-6
2-(3,5-Bis(trifluoromethyl)phenyl)-2-methyl-N-(6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridin-3-yl)propanamide
CAS 3017145-54-6C29H30F6N4O
Deuterated netupitant chemical structure, C30H32F6N4O, CAS 2488858-05-3
Deuterated netupitant
CAS 2488858-05-3C30H32F6N4O
4-(5-((2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoyl)(methyl)amino)-4-(2-methylphenyl)pyridin-2-yl)-1-methyl-1-((phosphonooxy)methyl)piperazin-1-ium chloride chemical structure, C31H36ClF6N4O5P, CAS 1703749-29-4
4-(5-((2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoyl)(methyl)amino)-4-(2-methylphenyl)pyridin-2-yl)-1-methyl-1-((phosphonooxy)methyl)piperazin-1-ium chloride
CAS 1703749-29-4C31H36ClF6N4O5P