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Murcko scaffold

Ring system with 3 rings and 17 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
6
With full pages
1
Scaffold SMILES

O=c1[nH]c(=O)c2c(ncn2CC2OCCO2)[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(ncn2CC2OCCO2)[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 6 of 6 chemicals

Doxofylline chemical structure, C11H14N4O4, CAS 69975-86-6
Doxofylline
CAS 69975-86-6C11H14N4O4
1H-Purine-2,6-dione, 3,7-dihydro-7-(1,3-dioxolan-2-ylmethyl)-1-methyl-3-(2-methylpropyl)- chemical structure, C14H20N4O4, CAS 132560-19-1
1H-Purine-2,6-dione, 3,7-dihydro-7-(1,3-dioxolan-2-ylmethyl)-1-methyl-3-(2-methylpropyl)-
CAS 132560-19-1C14H20N4O4
2-[(3-Methyl-xanthine-7-yl)methyl]-1,3-dioxolane chemical structure, C10H12N4O4, CAS 123524-29-8
2-[(3-Methyl-xanthine-7-yl)methyl]-1,3-dioxolane
CAS 123524-29-8C10H12N4O4
Doxofylline-d4 chemical structure, C11H14N4O4, CAS 1346599-13-0
Doxofylline-d4
CAS 1346599-13-0C11H14N4O4
Doxofylline-d6 (dimethyl-d6) chemical structure, C11H14N4O4, CAS 1219805-99-8
Doxofylline-d6 (dimethyl-d6)
CAS 1219805-99-8C11H14N4O4
7-((1,3-Dioxolan-2-YL-D5)methyl-D2)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C11H14N4O4, CAS 2490322-33-1
7-((1,3-Dioxolan-2-YL-D5)methyl-D2)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 2490322-33-1C11H14N4O4