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Murcko scaffold

Ring system with 5 rings and 25 atoms

12 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
25
Chemicals
12
With full pages
3
Scaffold SMILES

O=c1c2c(ncn1C1CCOCC1)-c1ccccc1CC21CCCC1

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=c1c2c(ncn1C1CCOCC1)-c1ccccc1CC21CCCC1

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 12 of 12 chemicals

3-(2,2-Dimethyloxan-4-yl)-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one chemical structure, C24H30N2O2S, CAS 303051-72-1
3-(2,2-Dimethyloxan-4-yl)-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CAS 303051-72-1C24H30N2O2S
3-(2,2-Dimethyloxan-4-yl)-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one chemical structure, C25H32N2O2S, CAS 303088-75-7
3-(2,2-Dimethyloxan-4-yl)-2-ethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CAS 303088-75-7C25H32N2O2S
2-(Butylsulfanyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,6-dihydro-4(3H)-oxospiro(benzo[h]quinazoline-5,1'-cyclopentane) chemical structure, C27H36N2O2S, CAS 303088-77-9
2-(Butylsulfanyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,6-dihydro-4(3H)-oxospiro(benzo[h]quinazoline-5,1'-cyclopentane)
CAS 303088-77-9C27H36N2O2S
Ethyl 2-[3-(2,2-dimethyloxan-4-yl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetate chemical structure, C27H34N2O4S, CAS 303013-83-4
Ethyl 2-[3-(2,2-dimethyloxan-4-yl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetate
CAS 303013-83-4C27H34N2O4S
AG-690/12134211 chemical structure, C26H32N2O2S, CAS 5705-12-4
AG-690/12134211
CAS 5705-12-4C26H32N2O2S
2-[3-(2,2-Dimethyloxan-4-yl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetonitrile chemical structure, C25H29N3O2S, CAS 303089-17-0
2-[3-(2,2-Dimethyloxan-4-yl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetonitrile
CAS 303089-17-0C25H29N3O2S
2-[3-(2,2-Dimethyloxan-4-yl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide chemical structure, C25H31N3O3S, CAS 337496-31-8
2-[3-(2,2-Dimethyloxan-4-yl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide
CAS 337496-31-8C25H31N3O3S
3-(2,2-Dimethyloxan-4-yl)-2-(2-methylprop-2-enylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one chemical structure, C27H34N2O2S, CAS 337496-29-4
3-(2,2-Dimethyloxan-4-yl)-2-(2-methylprop-2-enylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CAS 337496-29-4C27H34N2O2S
3-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one chemical structure, C28H38N2O2S, CAS 337496-47-6
3-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-2-[(3-methylbutyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
CAS 337496-47-6C28H38N2O2S
3-(2,2-Dimethyloxan-4-yl)-2-propylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one chemical structure, C26H34N2O2S, CAS 5919-03-9
3-(2,2-Dimethyloxan-4-yl)-2-propylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
CAS 5919-03-9C26H34N2O2S
3-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one chemical structure, C26H34N2O2S, CAS 5920-04-7
3-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-2-(propan-2-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
CAS 5920-04-7C26H34N2O2S
3-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-2-(pentylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one chemical structure, C28H38N2O2S, CAS 337496-45-4
3-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-2-(pentylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
CAS 337496-45-4C28H38N2O2S