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Murcko scaffold

Ring system with 3 rings and 20 atoms

3 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
3
With full pages
1
Scaffold SMILES

O=C(Nc1cc2c(s1)CCCCCC2)c1ccncc1

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(Nc1cc2c(s1)CCCCCC2)c1ccncc1

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 3 of 3 chemicals

N-(3-Cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pyridine-4-carboxamide chemical structure, C17H17N3OS, CAS 303138-42-3
N-(3-Cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)pyridine-4-carboxamide
CAS 303138-42-3C17H17N3OS
Methyl 2-(pyridine-4-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate chemical structure, C18H20N2O3S, CAS 540521-39-9
Methyl 2-(pyridine-4-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CAS 540521-39-9C18H20N2O3S
Ethyl 2-(pyridine-4-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate chemical structure, C19H22N2O3S, CAS 560079-26-7
Ethyl 2-(pyridine-4-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CAS 560079-26-7C19H22N2O3S