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Murcko scaffold

Ring system with 4 rings and 31 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
31
Chemicals
4
With full pages
2
Scaffold SMILES

O=C(Nc1ccc(C(=O)N2CCNCC2)cc1)c1cc(OCc2ccccc2)cnn1

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(Nc1ccc(C(=O)N2CCNCC2)cc1)c1cc(OCc2ccccc2)cnn1

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

Ensartinib chemical structure, C26H27Cl2FN6O3, CAS 1370651-20-9
Ensartinib
CAS 1370651-20-9C26H27Cl2FN6O3
3-Pyridazinecarboxamide, 6-amino-5-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-N-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)- chemical structure, C25H25Cl2FN6O3, CAS 1365267-27-1
3-Pyridazinecarboxamide, 6-amino-5-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-N-(4-((4-methyl-1-piperazinyl)carbonyl)phenyl)-
CAS 1365267-27-1C25H25Cl2FN6O3
Ensartinib hydrochloride chemical structure, C26H29Cl4FN6O3, CAS 2137030-98-7
Ensartinib hydrochloride
CAS 2137030-98-7C26H29Cl4FN6O3
tert-Butyl N-[4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-[[4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]pyridazin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate chemical structure, C35H41Cl2FN6O7, CAS 1370651-39-0
tert-Butyl N-[4-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-[[4-(4-methylpiperazine-1-carbonyl)phenyl]carbamoyl]pyridazin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CAS 1370651-39-0C35H41Cl2FN6O7