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Murcko scaffold

Ring system with 4 rings and 26 atoms

14 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
14
With full pages
3
Scaffold SMILES

O=C1NC=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccccc2)N1

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=C1NC=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccccc2)N1

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 14 of 14 chemicals

4-(4-Fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester chemical structure, C20H17FN2O5, CAS 347350-62-3
4-(4-Fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 1,3-benzodioxol-5-ylmethyl ester
CAS 347350-62-3C20H17FN2O5
1,3-Benzodioxol-5-ylmethyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C21H20N2O6, CAS 329066-10-6
1,3-Benzodioxol-5-ylmethyl 4-(2-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 329066-10-6C21H20N2O6
1,3-Benzodioxol-5-ylmethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C20H17ClN2O5, CAS 306753-60-6
1,3-Benzodioxol-5-ylmethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 306753-60-6C20H17ClN2O5
1,3-Benzodioxol-5-ylmethyl 4-(4-ethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C22H22N2O5, CAS 347353-62-2
1,3-Benzodioxol-5-ylmethyl 4-(4-ethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 347353-62-2C22H22N2O5
1,3-Benzodioxol-5-ylmethyl 4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C23H24N2O7, CAS 306750-92-5
1,3-Benzodioxol-5-ylmethyl 4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 306750-92-5C23H24N2O7
1,3-Benzodioxol-5-ylmethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C20H17N3O8, CAS 346715-14-8
1,3-Benzodioxol-5-ylmethyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 346715-14-8C20H17N3O8
1,3-Benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C22H22N2O7, CAS 330848-77-6
1,3-Benzodioxol-5-ylmethyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 330848-77-6C22H22N2O7
1,3-Benzodioxol-5-ylmethyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C24H26N2O7, CAS 418798-88-6
1,3-Benzodioxol-5-ylmethyl 4-(3-methoxy-4-propoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 418798-88-6C24H26N2O7
1,3-Benzodioxol-5-ylmethyl 4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C22H22N2O7, CAS 330850-79-8
1,3-Benzodioxol-5-ylmethyl 4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 330850-79-8C22H22N2O7
1,3-Benzodioxol-5-ylmethyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C20H17BrN2O5, CAS 346716-84-5
1,3-Benzodioxol-5-ylmethyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 346716-84-5C20H17BrN2O5
1,3-Benzodioxol-5-ylmethyl 4-(2-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C20H17FN2O5, CAS 329072-71-1
1,3-Benzodioxol-5-ylmethyl 4-(2-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 329072-71-1C20H17FN2O5
1,3-Benzodioxol-5-ylmethyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C23H24N2O6, CAS 347353-49-5
1,3-Benzodioxol-5-ylmethyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 347353-49-5C23H24N2O6
1,3-Benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C20H17ClN2O5, CAS 418798-79-5
1,3-Benzodioxol-5-ylmethyl 4-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 418798-79-5C20H17ClN2O5
1,3-Benzodioxol-5-ylmethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate chemical structure, C21H19BrN2O7, CAS 5602-26-6
1,3-Benzodioxol-5-ylmethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CAS 5602-26-6C21H19BrN2O7