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Murcko scaffold

Ring system with 5 rings and 31 atoms

9 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
9
With full pages
3
Scaffold SMILES

O=C1C(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1

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(=Cc2c(N3CCCCC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1

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 9 of 9 chemicals

3-((Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-7-methyl-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C25H30N4O2S2, CAS 381192-15-0
3-((Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-7-methyl-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one
CAS 381192-15-0C25H30N4O2S2
(5Z)-3-Cyclohexyl-5-[(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C24H28N4O2S2, CAS 380580-97-2
(5Z)-3-Cyclohexyl-5-[(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS 380580-97-2C24H28N4O2S2
3-((Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C25H30N4O2S2, CAS 361994-67-4
3-((Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-9-methyl-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one
CAS 361994-67-4C25H30N4O2S2
3-((Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C24H28N4O2S2, CAS 374086-45-0
3-((Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(4-methyl-1-piperidinyl)-4H-pyrido(1,2-A)pyrimidin-4-one
CAS 374086-45-0C24H28N4O2S2
1-{3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide chemical structure, C25H29N5O3S2, CAS 607704-57-4
1-{3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
CAS 607704-57-4C25H29N5O3S2
1-{3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide chemical structure, C24H27N5O3S2, CAS 607704-56-3
1-{3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
CAS 607704-56-3C24H27N5O3S2
Ethyl 1-{3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate chemical structure, C26H30N4O4S2, CAS 615272-89-4
Ethyl 1-{3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate
CAS 615272-89-4C26H30N4O4S2
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(3,5-dimethylpiperidin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C26H32N4O2S2, CAS 797764-28-4
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(3,5-dimethylpiperidin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 797764-28-4C26H32N4O2S2
Ethyl 1-{3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate chemical structure, C27H32N4O4S2, CAS 615271-76-6
Ethyl 1-{3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate
CAS 615271-76-6C27H32N4O4S2