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Murcko scaffold

Ring system with 4 rings and 26 atoms

7 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
7
With full pages
5
Scaffold SMILES

O=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c21)N1CCN(c2ccccc2)CC1

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=C(Cn1cnc2[nH]c(=O)[nH]c(=O)c21)N1CCN(c2ccccc2)CC1

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 7 of 7 chemicals

7-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H21FN6O3, CAS 314042-91-6
7-{2-[4-(4-Fluorophenyl)-1-piperazinyl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 314042-91-6C19H21FN6O3
1,3-Dimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H22N6O3, CAS 349400-56-2
1,3-Dimethyl-7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 349400-56-2C19H22N6O3
7-{2-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H26N6O3, CAS 349441-41-4
7-{2-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 349441-41-4C21H26N6O3
1,3-Dimethyl-7-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H21F3N6O3, CAS 432531-11-8
1,3-Dimethyl-7-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 432531-11-8C20H21F3N6O3
7-{2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C19H21FN6O3, CAS 432539-89-4
7-{2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 432539-89-4C19H21FN6O3
7-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione chemical structure, C20H24N6O4, CAS 314042-92-7
7-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CAS 314042-92-7C20H24N6O4
CBMicro_007390 chemical structure, C19H21N7O5, CAS 5876-10-8
CBMicro_007390
CAS 5876-10-8C19H21N7O5