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Murcko scaffold

Ring system with 4 rings and 22 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
4
With full pages
3
Scaffold SMILES

O=C1CCC(c2ccc3nc(-c4ccccc4)[nH]c3c2)=NN1

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=C1CCC(c2ccc3nc(-c4ccccc4)[nH]c3c2)=NN1

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 4 of 4 chemicals

Pimobendan chemical structure, C19H18N4O2, CAS 74150-27-9
Pimobendan
CAS 74150-27-9C19H18N4O2
3(2H)-Pyridazinone, 4,5-dihydro-6-(2-(4-hydroxyphenyl)-1H-benzimidazol-6-yl)-5-methyl-, hydrochloride (1:1) chemical structure, C18H17ClN4O2, CAS 77469-70-6
3(2H)-Pyridazinone, 4,5-dihydro-6-(2-(4-hydroxyphenyl)-1H-benzimidazol-6-yl)-5-methyl-, hydrochloride (1:1)
CAS 77469-70-6C18H17ClN4O2
4-Methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one chemical structure, C18H16N4O2, CAS 108381-22-2
4-Methyl-3-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydrobenzimidazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
CAS 108381-22-2C18H16N4O2
Pimobendan hydrochloride chemical structure, C19H19ClN4O2, CAS 77469-98-8
Pimobendan hydrochloride
CAS 77469-98-8C19H19ClN4O2