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Murcko scaffold

Ring system with 5 rings and 31 atoms

11 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
11
With full pages
3
Scaffold SMILES

O=C1C(=Cc2c(N3CCNCC3)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(N3CCNCC3)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 11 of 11 chemicals

(5Z)-3-Cyclohexyl-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C24H29N5O2S2, CAS 374600-97-2
(5Z)-3-Cyclohexyl-5-[[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS 374600-97-2C24H29N5O2S2
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C23H27N5O2S2, CAS 372971-66-9
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 372971-66-9C23H27N5O2S2
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C24H29N5O3S2, CAS 361994-84-5
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 361994-84-5C24H29N5O3S2
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H31N5O3S2, CAS 488136-57-8
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 488136-57-8C25H31N5O3S2
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C24H29N5O2S2, CAS 488094-62-8
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 488094-62-8C24H29N5O2S2
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H31N5O3S2, CAS 498571-21-4
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 498571-21-4C25H31N5O3S2
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-4H-pyrido[1,2-A]pyrimidin-4-one chemical structure, C24H29N5O2S2, CAS 432515-12-3
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-4H-pyrido[1,2-A]pyrimidin-4-one
CAS 432515-12-3C24H29N5O2S2
3-((Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one chemical structure, C25H31N5O2S2, CAS 381200-79-9
3-((Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl)-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido(1,2-A)pyrimidin-4-one
CAS 381200-79-9C25H31N5O2S2
Ethyl 4-{3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperazine-1-carboxylate chemical structure, C25H29N5O4S2, CAS 607693-26-5
Ethyl 4-{3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperazine-1-carboxylate
CAS 607693-26-5C25H29N5O4S2
Ethyl 4-{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}piperazine-1-carboxylate chemical structure, C26H31N5O4S2, CAS 607693-28-7
Ethyl 4-{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}piperazine-1-carboxylate
CAS 607693-28-7C26H31N5O4S2
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethylpiperazin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one chemical structure, C25H31N5O2S2, CAS 488094-37-7
3-[(Z)-(3-Cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethylpiperazin-1-yl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CAS 488094-37-7C25H31N5O2S2