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Murcko scaffold

Ring system with 4 rings and 22 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
10
With full pages
5
Scaffold SMILES

O=C1CCCC2=C1C(c1cccnc1)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(c1cccnc1)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 10 of 10 chemicals

9,9-Dimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one chemical structure, C20H21N3O, CAS 330958-08-2
9,9-Dimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CAS 330958-08-2C20H21N3O
9,9-Dimethyl-5-(2-methylpropanoyl)-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C24H27N3O2, CAS 337502-70-2
9,9-Dimethyl-5-(2-methylpropanoyl)-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CAS 337502-70-2C24H27N3O2
9,9-Dimethyl-6-pyridin-3-yl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C22H20F3N3O2, CAS 352692-78-5
9,9-Dimethyl-6-pyridin-3-yl-5-(2,2,2-trifluoroacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CAS 352692-78-5C22H20F3N3O2
9,9-Dimethyl-5-propanoyl-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C23H25N3O2, CAS 292064-57-4
9,9-Dimethyl-5-propanoyl-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CAS 292064-57-4C23H25N3O2
9,9-Dimethyl-5-pentanoyl-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C25H29N3O2, CAS 337502-72-4
9,9-Dimethyl-5-pentanoyl-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CAS 337502-72-4C25H29N3O2
2,3,9,9-Tetramethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one chemical structure, C22H25N3O, CAS 633280-00-9
2,3,9,9-Tetramethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CAS 633280-00-9C22H25N3O
9,9-Dimethyl-5-(3-methylbutanoyl)-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C25H29N3O2, CAS 378215-31-7
9,9-Dimethyl-5-(3-methylbutanoyl)-6-pyridin-3-yl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CAS 378215-31-7C25H29N3O2
5-Acetyl-9,9-dimethyl-6-(3-pyridyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one chemical structure, C22H23N3O2, CAS 353781-40-5
5-Acetyl-9,9-dimethyl-6-(3-pyridyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CAS 353781-40-5C22H23N3O2
3,9,9-Trimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one chemical structure, C21H23N3O, CAS 1022734-21-9
3,9,9-Trimethyl-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CAS 1022734-21-9C21H23N3O
Methyl 9,9-dimethyl-7-oxo-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate chemical structure, C22H23N3O3, CAS 851745-24-9
Methyl 9,9-dimethyl-7-oxo-6-pyridin-3-yl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepine-2-carboxylate
CAS 851745-24-9C22H23N3O3