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Murcko scaffold

Ring system with 3 rings and 18 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
6
With full pages
5
Scaffold SMILES

O=c1c2ccccc2ccn1Nc1ccccn1

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=c1c2ccccc2ccn1Nc1ccccn1

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 6 of 6 chemicals

2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarbonitrile chemical structure, C17H10ClF3N4O, CAS 303151-89-5
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarbonitrile
CAS 303151-89-5C17H10ClF3N4O
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide chemical structure, C17H12ClF3N4O2, CAS 339106-89-7
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
CAS 339106-89-7C17H12ClF3N4O2
Methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate chemical structure, C18H13ClF3N3O3, CAS 338793-07-0
Methyl 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
CAS 338793-07-0C18H13ClF3N3O3
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid chemical structure, C17H11ClF3N3O3, CAS 339106-81-9
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylic acid
CAS 339106-81-9C17H11ClF3N3O3
Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate chemical structure, C17H11ClF3N3O3, CAS 339106-16-0
Methyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate
CAS 339106-16-0C17H11ClF3N3O3
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide chemical structure, C19H16ClF3N4O2, CAS 339106-91-1
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-N,N-dimethyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
CAS 339106-91-1C19H16ClF3N4O2