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Murcko scaffold

Ring system with 4 rings and 20 atoms

12 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
20
Chemicals
12
With full pages
8
Scaffold SMILES

O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)C=CO2

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(c1ccc3c(c1)OCO3)C=CO2

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

2-Amino-4-(1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H14N2O4, CAS 304869-58-7
2-Amino-4-(1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 304869-58-7C17H14N2O4
2-Amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C19H18N2O4, CAS 293758-98-2
2-Amino-4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 293758-98-2C19H18N2O4
2-Amino-4-(6-nitrobenzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H13N3O6, CAS 315245-17-1
2-Amino-4-(6-nitrobenzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 315245-17-1C17H13N3O6
Ethyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C21H23NO6, CAS 342397-01-7
Ethyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CAS 342397-01-7C21H23NO6
2-Amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C18H16N2O5, CAS 413618-81-2
2-Amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 413618-81-2C18H16N2O5
2-Amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C20H20N2O5, CAS 311773-25-8
2-Amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 311773-25-8C20H20N2O5
Ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate chemical structure, C19H19NO6, CAS 313967-78-1
Ethyl 2-amino-4-(1,3-benzodioxol-5-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CAS 313967-78-1C19H19NO6
2-Amino-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C19H17BrN2O4, CAS 332177-07-8
2-Amino-4-(6-bromobenzo[d][1,3]dioxol-5-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 332177-07-8C19H17BrN2O4
2-Amino-7,7-dimethyl-4-(6-nitro-benzo[1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C19H17N3O6, CAS 309289-79-0
2-Amino-7,7-dimethyl-4-(6-nitro-benzo[1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 309289-79-0C19H17N3O6
2-Amino-4-(6-chloro-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile chemical structure, C19H17ClN2O4, CAS 371958-91-7
2-Amino-4-(6-chloro-1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CAS 371958-91-7C19H17ClN2O4
Methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C18H17NO6, CAS 612802-44-5
Methyl 2-amino-4-(benzo[d][1,3]dioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CAS 612802-44-5C18H17NO6
2-Amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile chemical structure, C18H16N2O4, CAS 1024209-91-3
2-Amino-4-(1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS 1024209-91-3C18H16N2O4