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Murcko scaffold

Ring system with 5 rings and 30 atoms

8 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
30
Chemicals
8
With full pages
3
Scaffold SMILES

O=C1CC2CC3Cc4ccccc4C=C3C(=O)C2C=C1C(=O)NCN1CCNCC1

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=C1CC2CC3Cc4ccccc4C=C3C(=O)C2C=C1C(=O)NCN1CCNCC1

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 8 of 8 chemicals

Pipacycline chemical structure, C29H38N4O9, CAS 1110-80-1
Pipacycline
CAS 1110-80-1C29H38N4O9
Penimepicycline chemical structure, C45H56N6O14S, CAS 4599-60-4
Penimepicycline
CAS 4599-60-4C45H56N6O14S
Guamecycline chemical structure, C29H38N8O8, CAS 16545-11-2
Guamecycline
CAS 16545-11-2C29H38N8O8
Apicycline chemical structure, C30H38N4O11, CAS 15599-51-6
Apicycline
CAS 15599-51-6C30H38N4O11
Guamecycline dihydrochloride chemical structure, C29H40Cl2N8O8, CAS 13040-98-7
Guamecycline dihydrochloride
CAS 13040-98-7C29H40Cl2N8O8
Xanthocycline chemical structure, C29H39ClN8O8
Xanthocycline
C29H39ClN8O8
2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-4-(dimethylamino)-1,11-dioxo-6-methyl-3,6,10,12,12a-pentahydroxy-N-(1-piperazinylmethyl)- chemical structure, C27H35ClN4O8, CAS 14867-22-2
2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-4-(dimethylamino)-1,11-dioxo-6-methyl-3,6,10,12,12a-pentahydroxy-N-(1-piperazinylmethyl)-
CAS 14867-22-2C27H35ClN4O8
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-N-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-methyl-1,11-dioxo- chemical structure, C29H38N4O10, CAS 17608-64-9
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-N-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-6-methyl-1,11-dioxo-
CAS 17608-64-9C29H38N4O10