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Murcko scaffold

Ring system with 5 rings and 18 atoms

5 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
18
Chemicals
5
With full pages
0
Scaffold SMILES

O=C1C=C(N2CC2)C(=O)C2=C1N1CC3NC3C1C2

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=C1C=C(N2CC2)C(=O)C2=C1N1CC3NC3C1C2

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 5 of 5 chemicals

[(8S,8aR)-6-(Aziridin-1-yl)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate chemical structure, C17H20N4O5
[(8S,8aR)-6-(Aziridin-1-yl)-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
C17H20N4O5
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate chemical structure, C17H20N4O5, CAS 4206-89-7
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate
CAS 4206-89-7C17H20N4O5
[11-(Aziridin-1-yl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate chemical structure, C17H20N4O5, CAS 13164-87-9
[11-(Aziridin-1-yl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
CAS 13164-87-9C17H20N4O5
Mitomycin deriv chemical structure, C18H19N5O5, CAS 84397-24-0
Mitomycin deriv
CAS 84397-24-0C18H19N5O5
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester) chemical structure, C17H20N4O5, CAS 4117-86-6
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
CAS 4117-86-6C17H20N4O5