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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
0
Scaffold SMILES

O=C1Cc2cc3n(c(=S)c2CO1)Cc1c-3nc2cccc3c2c1CCC3

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(=S)c2CO1)Cc1c-3nc2cccc3c2c1CCC3

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

NV4Mst44PQ chemical structure, C24H22FN3O3S, CAS 2806052-38-8
NV4Mst44PQ
CAS 2806052-38-8C24H22FN3O3S
2Jkl2upt6A chemical structure, C26H24FN3O5S, CAS 2806052-35-5
2Jkl2upt6A
CAS 2806052-35-5C26H24FN3O5S
Acetamide, N-[(9S)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10-oxo-13-thioxo-1H,12H-benzo[de]pyrano[3 inverted exclamation marka,4 inverted exclamation marka:6,7]indolizino[1,2-b]quinolin-1-yl]- chemical structure, C26H24FN3O4S, CAS 2806052-40-2
Acetamide, N-[(9S)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10-oxo-13-thioxo-1H,12H-benzo[de]pyrano[3 inverted exclamation marka,4 inverted exclamation marka:6,7]indolizino[1,2-b]quinolin-1-yl]-
CAS 2806052-40-2C26H24FN3O4S
10H,12H-Benzo[de]pyrano[3 inverted exclamation marka,4 inverted exclamation marka:6,7]indolizino[1,2-b]quinolin-10-one, 1-amino-9-ethyl-5-fluoro-1,2,3,9,13,15-hexahydro-9-hydroxy-4-methyl-13-thioxo-, (9S)- chemical structure, C24H22FN3O3S, CAS 2806052-37-7
10H,12H-Benzo[de]pyrano[3 inverted exclamation marka,4 inverted exclamation marka:6,7]indolizino[1,2-b]quinolin-10-one, 1-amino-9-ethyl-5-fluoro-1,2,3,9,13,15-hexahydro-9-hydroxy-4-methyl-13-thioxo-, (9S)-
CAS 2806052-37-7C24H22FN3O3S