CompoundList
Sign in
Murcko scaffold

Ring system with 3 rings and 11 atoms

16 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
11
Chemicals
16
With full pages
5
Scaffold SMILES

O=C1NCC23C=CC(CC12)O3

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=C1NCC23C=CC(CC12)O3

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 16 of 16 chemicals

Bas 05044537 chemical structure, C12H15NO4, CAS 436811-01-7
Bas 05044537
CAS 436811-01-7C12H15NO4
2-(3-Methoxypropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid chemical structure, C13H17NO5, CAS 1164506-74-4
2-(3-Methoxypropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
CAS 1164506-74-4C13H17NO5
RefChem:382196 chemical structure, C13H17NO4, CAS 436855-63-9
RefChem:382196
CAS 436855-63-9C13H17NO4
2-(Butan-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid chemical structure, C13H17NO4, CAS 1212404-85-7
2-(Butan-2-yl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
CAS 1212404-85-7C13H17NO4
2-Methyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid chemical structure, C10H11NO4, CAS 163180-68-5
2-Methyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
CAS 163180-68-5C10H11NO4
Methyl 2-(2-methylpropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate chemical structure, C14H19NO4, CAS 1212186-47-4
Methyl 2-(2-methylpropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
CAS 1212186-47-4C14H19NO4
2-Ethyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid chemical structure, C11H13NO4, CAS 163035-51-6
2-Ethyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
CAS 163035-51-6C11H13NO4
2-(tert-Butyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid chemical structure, C13H17NO4, CAS 436811-02-8
2-(tert-Butyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
CAS 436811-02-8C13H17NO4
3-(2-Methoxy-ethyl)-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid chemical structure, C12H15NO5, CAS 1212306-34-7
3-(2-Methoxy-ethyl)-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid
CAS 1212306-34-7C12H15NO5
2-(3-(Dimethylamino)propyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid chemical structure, C14H20N2O4, CAS 436811-03-9
2-(3-(Dimethylamino)propyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
CAS 436811-03-9C14H20N2O4
Sbb012217 chemical structure, C13H15NO6, CAS 436811-04-0
Sbb012217
CAS 436811-04-0C13H15NO6
3-(2-Diethylamino-ethyl)-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid chemical structure, C15H22N2O4, CAS 1005060-07-0
3-(2-Diethylamino-ethyl)-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-6-carboxylic acid
CAS 1005060-07-0C15H22N2O4
2-(3-Isopropoxypropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid chemical structure, C15H21NO5, CAS 1005184-04-2
2-(3-Isopropoxypropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
CAS 1005184-04-2C15H21NO5
2-Butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid chemical structure, C13H17NO4, CAS 1212364-24-3
2-Butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
CAS 1212364-24-3C13H17NO4
2-(2,3-Dihydroxypropyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-7-carboxylic acid chemical structure, C12H15NO6, CAS 1217854-09-5
2-(2,3-Dihydroxypropyl)-1,2,3,6,7,7a-hexahydro-1-oxo-3a,6-epoxy-3aH-isoindole-7-carboxylic acid
CAS 1217854-09-5C12H15NO6
(1S*,5R*,6S*,7R*)-3-Methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid chemical structure, C10H11NO4, CAS 1820576-25-7
(1S*,5R*,6S*,7R*)-3-Methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
CAS 1820576-25-7C10H11NO4