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Murcko scaffold

Ring system with 4 rings and 24 atoms

12 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
12
With full pages
2
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(-n3cccn3)n2CCc2ccccc2)[nH]1

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=c1[nH]c(=O)c2c(nc(-n3cccn3)n2CCc2ccccc2)[nH]1

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

8-(3,5-Dimethyl-pyrazol-1-yl)-3-methyl-7-phenethyl-3,7-dihydro-purine-2,6-dione chemical structure, C19H20N6O2, CAS 300834-33-7
8-(3,5-Dimethyl-pyrazol-1-yl)-3-methyl-7-phenethyl-3,7-dihydro-purine-2,6-dione
CAS 300834-33-7C19H20N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C20H22N6O2, CAS 493016-16-3
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
CAS 493016-16-3C20H22N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-ethyl-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H24N6O2, CAS 1014008-58-2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-ethyl-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
CAS 1014008-58-2C21H24N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-isobutyl-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H28N6O2, CAS 1014009-31-4
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-isobutyl-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
CAS 1014009-31-4C23H28N6O2
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H26N6O3, CAS 1014011-64-3
8-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(2-methoxyethyl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
CAS 1014011-64-3C22H26N6O3
Methyl 2-(8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate chemical structure, C22H24N6O4, CAS 1014012-37-3
Methyl 2-(8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-1-yl)acetate
CAS 1014012-37-3C22H24N6O4
2-(8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide chemical structure, C21H23N7O3, CAS 1014029-15-2
2-(8-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-methyl-2,6-dioxo-7-phenethyl-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
CAS 1014029-15-2C21H23N7O3
3-Methyl-7-phenethyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H22N6O2, CAS 1014030-43-3
3-Methyl-7-phenethyl-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 1014030-43-3C20H22N6O2
1,3-Dimethyl-7-(2-phenylethyl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C21H24N6O2, CAS 1014051-87-6
1,3-Dimethyl-7-(2-phenylethyl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 1014051-87-6C21H24N6O2
3-Methyl-1-(2-oxopropyl)-7-(2-phenylethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione chemical structure, C23H26N6O3, CAS 1014051-30-9
3-Methyl-1-(2-oxopropyl)-7-(2-phenylethyl)-8-(3,4,5-trimethylpyrazol-1-yl)purine-2,6-dione
CAS 1014051-30-9C23H26N6O3
2-[3-Methyl-2,6-dioxo-7-(2-phenylethyl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]acetamide chemical structure, C22H25N7O3, CAS 1014070-98-4
2-[3-Methyl-2,6-dioxo-7-(2-phenylethyl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl]acetamide
CAS 1014070-98-4C22H25N7O3
8-(3,5-Diethylpyrazolyl)-3-methyl-7-(2-phenylethyl)-1,3,7-trihydropurine-2,6-d ione chemical structure, C21H24N6O2, CAS 1014052-91-5
8-(3,5-Diethylpyrazolyl)-3-methyl-7-(2-phenylethyl)-1,3,7-trihydropurine-2,6-d ione
CAS 1014052-91-5C21H24N6O2