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Murcko scaffold

Ring system with 3 rings and 20 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
6
With full pages
3
Scaffold SMILES

c1ccc(Nc2ccnc(NCC3CCCO3)n2)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 c1ccc(Nc2ccnc(NCC3CCCO3)n2)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 6 of 6 chemicals

4-N-(3-Fluorophenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine chemical structure, C15H17FN6O3, CAS 573973-22-5
4-N-(3-Fluorophenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
CAS 573973-22-5C15H17FN6O3
N4-(2,5-dimethoxyphenyl)-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-2,4,6-triamine chemical structure, C17H22N6O5, CAS 714286-92-7
N4-(2,5-dimethoxyphenyl)-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-2,4,6-triamine
CAS 714286-92-7C17H22N6O5
4-N-(2-Fluorophenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine chemical structure, C15H17FN6O3, CAS 840460-35-7
4-N-(2-Fluorophenyl)-5-nitro-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4,6-triamine
CAS 840460-35-7C15H17FN6O3
5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-p-tolyl-pyrimidine-2,4,6-triamine chemical structure, C16H20N6O3, CAS 835906-89-3
5-Nitro-N-(tetrahydro-furan-2-ylmethyl)-N'-p-tolyl-pyrimidine-2,4,6-triamine
CAS 835906-89-3C16H20N6O3
N~4~-(4-fluorophenyl)-6-methyl-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4-diamine chemical structure, C16H18FN5O3, CAS 1203240-63-4
N~4~-(4-fluorophenyl)-6-methyl-5-nitro-N~2~-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4-diamine
CAS 1203240-63-4C16H18FN5O3
N4-(4-methoxyphenyl)-6-methyl-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-2,4-diamine chemical structure, C17H21N5O4, CAS 1211726-97-4
N4-(4-methoxyphenyl)-6-methyl-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-2,4-diamine
CAS 1211726-97-4C17H21N5O4