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Murcko scaffold

Ring system with 4 rings and 27 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
5
With full pages
1
Scaffold SMILES

c1ccc(Nc2ccnc(Nc3ccc(CN4CCNCC4)cc3)n2)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(Nc2ccnc(Nc3ccc(CN4CCNCC4)cc3)n2)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

Dubermatinib chemical structure, C24H30ClN7O2S, CAS 1341200-45-0
Dubermatinib
CAS 1341200-45-0C24H30ClN7O2S
2-((5-Chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzamide chemical structure, C25H30ClN7O, CAS 1341200-46-1
2-((5-Chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzamide
CAS 1341200-46-1C25H30ClN7O
4-[[4-[[5-Chloro-4-[[2-[(methylamino)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid 1,1-dimethylethyl ester chemical structure, C27H34ClN7O4S, CAS 2410512-00-2
4-[[4-[[5-Chloro-4-[[2-[(methylamino)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
CAS 2410512-00-2C27H34ClN7O4S
4-[[4-[[5-Chloro-4-[[2-[(dimethylamino)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid 1,1-dimethylethyl ester chemical structure, C28H36ClN7O4S, CAS 2410512-01-3
4-[[4-[[5-Chloro-4-[[2-[(dimethylamino)sulfonyl]phenyl]amino]-2-pyrimidinyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
CAS 2410512-01-3C28H36ClN7O4S
Dubermatinib tartrate chemical structure, C32H42ClN7O14S, CAS 2305089-34-1
Dubermatinib tartrate
CAS 2305089-34-1C32H42ClN7O14S