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Murcko scaffold

Ring system with 4 rings and 20 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
20
Chemicals
5
With full pages
0
Scaffold SMILES

O=c1c2ccccc2nc2n1CCC2c1ccccc1

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=c1c2ccccc2nc2n1CCC2c1ccccc1

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

Aniflorine chemical structure, C20H21N3O3, CAS 29048-81-5
Aniflorine
CAS 29048-81-5C20H21N3O3
Anisotine chemical structure, C20H19N3O3, CAS 16688-19-0
Anisotine
CAS 16688-19-0C20H19N3O3
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[2-(dimethylamino)phenyl]-2,3-dihydro-3-hydroxy-5-methoxy- chemical structure, C20H21N3O3, CAS 16688-21-4
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[2-(dimethylamino)phenyl]-2,3-dihydro-3-hydroxy-5-methoxy-
CAS 16688-21-4C20H21N3O3
Vasicolinone chemical structure, C19H19N3O, CAS 33903-15-0
Vasicolinone
CAS 33903-15-0C19H19N3O
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[o-(dimethylamino)phenyl]-2,3-dihydro-5-methoxy- chemical structure, C20H21N3O2, CAS 16688-22-5
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[o-(dimethylamino)phenyl]-2,3-dihydro-5-methoxy-
CAS 16688-22-5C20H21N3O2