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Murcko scaffold

Ring system with 6 rings and 26 atoms

4 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
26
Chemicals
4
With full pages
1
Scaffold SMILES

O=C1Cc2cc3n(c(=O)c2CO1)Cc1c-3nc2cccc3c2c1NC=N3

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=C1Cc2cc3n(c(=O)c2CO1)Cc1c-3nc2cccc3c2c1NC=N3

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

(10S)-10-Ethyl-10-hydroxy-23-pentyl-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione chemical structure, C26H26N4O4, CAS 534605-78-2
(10S)-10-Ethyl-10-hydroxy-23-pentyl-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaene-5,9-dione
CAS 534605-78-2C26H26N4O4
[(10S)-10-Ethyl-5,9-dioxo-23-pentyl-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaen-10-yl] 2-[methyl-[2-(methylamino)acetyl]amino]acetate chemical structure, C32H36N6O6, CAS 867063-99-8
[(10S)-10-Ethyl-5,9-dioxo-23-pentyl-8-oxa-4,15,21,23-tetrazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16(24),17,19,21-octaen-10-yl] 2-[methyl-[2-(methylamino)acetyl]amino]acetate
CAS 867063-99-8C32H36N6O6
Atiratecan chemical structure, C31H34N6O6, CAS 867063-97-6
Atiratecan
CAS 867063-97-6C31H34N6O6
CH-0793076 (Tfa) chemical structure, C28H27F3N4O6, CAS 2740278-76-4
CH-0793076 (Tfa)
CAS 2740278-76-4C28H27F3N4O6