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Murcko scaffold

4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro- scaffold

24 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
12
Chemicals
24
With full pages
4
Scaffold SMILES

O=C1NC(=O)C2C3C=CC(O3)C12

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 scaffoldOpen the 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro- page
Murcko scaffold O=C1NC(=O)C2C3C=CC(O3)C12

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 24 of 24 chemicals

4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro- chemical structure, C8H7NO3, CAS 6253-28-7
4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-
CAS 6253-28-7C8H7NO3
2-Amino-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione chemical structure, C8H8N2O3, CAS 4290-38-4
2-Amino-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CAS 4290-38-4C8H8N2O3
2-(Dimethylamino)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione chemical structure, C10H12N2O3, CAS 32620-82-9
2-(Dimethylamino)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CAS 32620-82-9C10H12N2O3
N-Hydroxymaleimide adduct of furan chemical structure, C8H7NO4, CAS 5596-17-8
N-Hydroxymaleimide adduct of furan
CAS 5596-17-8C8H7NO4
(1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate chemical structure, C10H9NO5, CAS 55057-72-2
(1,3-Dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl) acetate
CAS 55057-72-2C10H9NO5
(1R,2S,6R,7S)-1,7-Dimethyl-10-oxa-4-azatricyclo[5.2.1.0,2,6]dec-8-ene-3,5-dione chemical structure, C10H11NO3, CAS 1189948-66-0
(1R,2S,6R,7S)-1,7-Dimethyl-10-oxa-4-azatricyclo[5.2.1.0,2,6]dec-8-ene-3,5-dione
CAS 1189948-66-0C10H11NO3
3a,4,7,7a-Tetrahydro-4,7-dimethyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione chemical structure, C10H11NO3, CAS 329775-42-0
3a,4,7,7a-Tetrahydro-4,7-dimethyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione
CAS 329775-42-0C10H11NO3
3a,4,7,7a-Tetrahydro-4-methyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione chemical structure, C9H9NO3, CAS 330548-76-0
3a,4,7,7a-Tetrahydro-4-methyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione
CAS 330548-76-0C9H9NO3
3a,4,7,7a-Tetrahydro-2-methyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione chemical structure, C9H9NO3, CAS 32620-86-3
3a,4,7,7a-Tetrahydro-2-methyl-4,7-epoxy-1H-isoindole-1,3(2H)-dione
CAS 32620-86-3C9H9NO3
3a,4,7,7a-Tetrahydro-2-methoxy-4,7-epoxy-1H-isoindole-1,3(2H)-dione chemical structure, C9H9NO4, CAS 32487-81-3
3a,4,7,7a-Tetrahydro-2-methoxy-4,7-epoxy-1H-isoindole-1,3(2H)-dione
CAS 32487-81-3C9H9NO4
2-[(Z)-3-Chlorobut-2-enoxy]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione chemical structure, C12H12ClNO4, CAS 5349-82-6
2-[(Z)-3-Chlorobut-2-enoxy]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CAS 5349-82-6C12H12ClNO4
2-[(E)-Heptylideneamino]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione chemical structure, C15H20N2O3, CAS 94064-47-8
2-[(E)-Heptylideneamino]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CAS 94064-47-8C15H20N2O3
Agn-PC-009ywy chemical structure, C10H11NO4, CAS 32620-90-9
Agn-PC-009ywy
CAS 32620-90-9C10H11NO4
rel-(3aR,4S,7R,7aS)-2-[2-(Dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione chemical structure, C12H16N2O3, CAS 943439-09-6
rel-(3aR,4S,7R,7aS)-2-[2-(Dimethylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CAS 943439-09-6C12H16N2O3
2-Butyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione chemical structure, C12H15NO3, CAS 32620-88-5
2-Butyl-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CAS 32620-88-5C12H15NO3
(3aR,4R,7S,7aS)-3a,4,7,7a-Tetrahydro-4,7-epoxyisoindole-1,3-dione chemical structure, C8H7NO3, CAS 19878-26-3
(3aR,4R,7S,7aS)-3a,4,7,7a-Tetrahydro-4,7-epoxyisoindole-1,3-dione
CAS 19878-26-3C8H7NO3
3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)propyl methacrylate chemical structure, C15H17NO5, CAS 1323283-46-0
3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)propyl methacrylate
CAS 1323283-46-0C15H17NO5
3-[2-[(3aR,4S,7R,7aS)-4,7-Dimethyl-1,3-dioxo-3a,7a-dihydro-4,7-epoxyisoindol-2-yl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile chemical structure, C21H32N3O5P, CAS 1316303-83-9
3-[2-[(3aR,4S,7R,7aS)-4,7-Dimethyl-1,3-dioxo-3a,7a-dihydro-4,7-epoxyisoindol-2-yl]ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CAS 1316303-83-9C21H32N3O5P
2-(2-Hydroxyethyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione chemical structure, C11H13NO5, CAS 1009048-76-3
2-(2-Hydroxyethyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CAS 1009048-76-3C11H13NO5
Rel-(3aR,4R,7S,7aS)-2-(3-hydroxypropyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione chemical structure, C11H13NO4, CAS 959773-21-8
Rel-(3aR,4R,7S,7aS)-2-(3-hydroxypropyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CAS 959773-21-8C11H13NO4
(2-(2-((2-Bromo-2-methylpropanoyl)oxy)ethyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl)methyl prop-2-yn-1-yl succinate chemical structure, C22H24BrNO9, CAS 2097887-80-2
(2-(2-((2-Bromo-2-methylpropanoyl)oxy)ethyl)-1,3-dioxo-1,2,3,3a,7,7a-hexahydro-4H-4,7-epoxyisoindol-4-yl)methyl prop-2-yn-1-yl succinate
CAS 2097887-80-2C22H24BrNO9
2-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)ethyl (3-(trimethylsilyl)prop-2-yn-1-yl) succinate chemical structure, C20H25NO7Si, CAS 2068777-61-5
2-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-epoxyisoindol-2-yl)ethyl (3-(trimethylsilyl)prop-2-yn-1-yl) succinate
CAS 2068777-61-5C20H25NO7Si
rel-4-[[2-[(3aR,7aS)-1,3-Dioxo-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindol-2(3H)-yl]ethyl]dimethylammonio]butane-1-sulfonate chemical structure, C32H48N4O12S2, CAS 1080027-77-5
rel-4-[[2-[(3aR,7aS)-1,3-Dioxo-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindol-2(3H)-yl]ethyl]dimethylammonio]butane-1-sulfonate
CAS 1080027-77-5C32H48N4O12S2
2-[2-(Methylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione chemical structure, C11H14N2O3, CAS 1870992-90-7
2-[2-(Methylamino)ethyl]-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
CAS 1870992-90-7C11H14N2O3