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Murcko scaffold

Ring system with 3 rings and 24 atoms

15 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
24
Chemicals
15
With full pages
2
Scaffold SMILES

O=C(C=Cc1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1

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=C(C=Cc1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1

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 15 of 15 chemicals

Cinepazide maleate chemical structure, C26H35N3O9, CAS 26328-04-1
Cinepazide maleate
CAS 26328-04-1C26H35N3O9
Cinepazide chemical structure, C22H31N3O5, CAS 23887-46-9
Cinepazide
CAS 23887-46-9C22H31N3O5
Piperazine, 1-(3,5-dimethoxy-4-hydroxycinnamoyl)-4-pyrrolidinocarbonylmethyl- chemical structure, C21H29N3O5, CAS 57061-75-3
Piperazine, 1-(3,5-dimethoxy-4-hydroxycinnamoyl)-4-pyrrolidinocarbonylmethyl-
CAS 57061-75-3C21H29N3O5
1-{4-[2-Oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, but-2-enedioic acid chemical structure, C26H35N3O9, CAS 1184963-62-9
1-{4-[2-Oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, but-2-enedioic acid
CAS 1184963-62-9C26H35N3O9
Cinepazide impurity 1 chemical structure, C22H31N3O5, CAS 88197-50-6
Cinepazide impurity 1
CAS 88197-50-6C22H31N3O5
Piperazine, 1-(1-oxo-3-phenyl-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, monohydrochloride, (E)- chemical structure, C19H26ClN3O2, CAS 88052-44-2
Piperazine, 1-(1-oxo-3-phenyl-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, monohydrochloride, (E)-
CAS 88052-44-2C19H26ClN3O2
Piperazine, 1-(3-(4-fluorophenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, (E)-,ethanedioate (1:1) chemical structure, C21H26FN3O6, CAS 88052-47-5
Piperazine, 1-(3-(4-fluorophenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, (E)-,ethanedioate (1:1)
CAS 88052-47-5C21H26FN3O6
Piperazine, 1-(3-(3,4-dichlorophenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, monohydrochloride, (E)- chemical structure, C19H24Cl3N3O2, CAS 88052-49-7
Piperazine, 1-(3-(3,4-dichlorophenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, monohydrochloride, (E)-
CAS 88052-49-7C19H24Cl3N3O2
Piperazine, 1-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, monohydrochloride, (E)- chemical structure, C19H25Cl2N3O2, CAS 88052-59-9
Piperazine, 1-(3-(4-chlorophenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, monohydrochloride, (E)-
CAS 88052-59-9C19H25Cl2N3O2
Piperazine, 1-(3-(3-chlorophenyl)-1-oxo-2-propenyl)-4-(1-methyl-2-oxo-(1-pyrrolidinyl)ethyl)-,(E)-(+-)- chemical structure, C20H26ClN3O2, CAS 97167-60-7
Piperazine, 1-(3-(3-chlorophenyl)-1-oxo-2-propenyl)-4-(1-methyl-2-oxo-(1-pyrrolidinyl)ethyl)-,(E)-(+-)-
CAS 97167-60-7C20H26ClN3O2
1-(2-Oxo-2-(1-pyrrolidinyl)ethyl)-4-(1-oxo-3-(3,4,5-trimethoxyphenyl)allyl)piperazinium chloride chemical structure, C22H32ClN3O5, CAS 94135-67-8
1-(2-Oxo-2-(1-pyrrolidinyl)ethyl)-4-(1-oxo-3-(3,4,5-trimethoxyphenyl)allyl)piperazinium chloride
CAS 94135-67-8C22H32ClN3O5
Cinepazide impurity 2 chemical structure, C22H31N3O6, CAS 1227926-25-1
Cinepazide impurity 2
CAS 1227926-25-1C22H31N3O6
Piperazine, 1-(3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, (E)-, ethanedioate, hydrate (5:5:2) chemical structure, C115H159N15O42, CAS 88052-55-5
Piperazine, 1-(3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, (E)-, ethanedioate, hydrate (5:5:2)
CAS 88052-55-5C115H159N15O42
Piperazine, 1-(3-(2-methoxyphenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, (E)-, ethanedioate, hydrate (5:5:2) chemical structure, C110H149N15O37, CAS 88052-61-3
Piperazine, 1-(3-(2-methoxyphenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, (E)-, ethanedioate, hydrate (5:5:2)
CAS 88052-61-3C110H149N15O37
Piperazine, 1-(3-(2,5-dimethoxyphenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, (E)-, monohydrochloride, hydrate (4:4:1) chemical structure, C84H122Cl4N12O17, CAS 88052-62-4
Piperazine, 1-(3-(2,5-dimethoxyphenyl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-, (E)-, monohydrochloride, hydrate (4:4:1)
CAS 88052-62-4C84H122Cl4N12O17