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Murcko scaffold

Ring system with 4 rings and 22 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
4
With full pages
3
Scaffold SMILES

O=C1CCCC2=C1C(c1ccccn1)Nc1ccccc1N2

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=C1CCCC2=C1C(c1ccccn1)Nc1ccccc1N2

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

5-Acetyl-9,9-dimethyl-6-(2-pyridyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C22H23N3O2, CAS 353781-50-7
5-Acetyl-9,9-dimethyl-6-(2-pyridyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CAS 353781-50-7C22H23N3O2
9,9-Dimethyl-6-pyridin-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one chemical structure, C20H21N3O, CAS 332898-11-0
9,9-Dimethyl-6-pyridin-2-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CAS 332898-11-0C20H21N3O
Cambridge id 5811794 chemical structure, C23H25N3O2, CAS 312621-38-8
Cambridge id 5811794
CAS 312621-38-8C23H25N3O2
6,14,14-Trimethyl-10-(pyridin-2-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraen-12-one chemical structure, C21H23N3O, CAS 1020251-80-2
6,14,14-Trimethyl-10-(pyridin-2-yl)-2,9-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6-tetraen-12-one
CAS 1020251-80-2C21H23N3O