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Murcko scaffold

Ring system with 3 rings and 25 atoms

14 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
25
Chemicals
14
With full pages
5
Scaffold SMILES

O=C(CCCN1C(=O)C(=Cc2ccccc2)SC1=S)N1CCCCC1

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(CCCN1C(=O)C(=Cc2ccccc2)SC1=S)N1CCCCC1

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 14 of 14 chemicals

(5Z)-5-(4-Ethylbenzylidene)-3-[4-oxo-4-(piperidin-1-yl)butyl]-2-thioxo-1,3-thiazolidin-4-one chemical structure, C21H26N2O2S2, CAS 315243-37-9
(5Z)-5-(4-Ethylbenzylidene)-3-[4-oxo-4-(piperidin-1-yl)butyl]-2-thioxo-1,3-thiazolidin-4-one
CAS 315243-37-9C21H26N2O2S2
(5Z)-5-(4-Ethylbenzylidene)-3-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-2-thioxo-1,3-thiazolidin-4-one chemical structure, C22H28N2O2S2, CAS 315243-39-1
(5Z)-5-(4-Ethylbenzylidene)-3-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-2-thioxo-1,3-thiazolidin-4-one
CAS 315243-39-1C22H28N2O2S2
(Z)-5-(3-Methoxybenzylidene)-3-(4-oxo-4-(piperidin-1-yl)butyl)-2-thioxothiazolidin-4-one chemical structure, C20H24N2O3S2, CAS 476666-58-7
(Z)-5-(3-Methoxybenzylidene)-3-(4-oxo-4-(piperidin-1-yl)butyl)-2-thioxothiazolidin-4-one
CAS 476666-58-7C20H24N2O3S2
(Z)-Methyl 4-((4-oxo-3-(4-oxo-4-(piperidin-1-yl)butyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoate chemical structure, C21H24N2O4S2, CAS 681814-22-2
(Z)-Methyl 4-((4-oxo-3-(4-oxo-4-(piperidin-1-yl)butyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoate
CAS 681814-22-2C21H24N2O4S2
(5Z)-5-(4-Fluorobenzylidene)-3-{4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl}-2-thioxo-1,3-thiazolidin-4-one chemical structure, C21H25FN2O3S2, CAS 902332-66-5
(5Z)-5-(4-Fluorobenzylidene)-3-{4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl}-2-thioxo-1,3-thiazolidin-4-one
CAS 902332-66-5C21H25FN2O3S2
1-{4-[(5Z)-5-(2-Methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}piperidine-4-carboxylic acid chemical structure, C21H24N2O5S2, CAS 902036-88-8
1-{4-[(5Z)-5-(2-Methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}piperidine-4-carboxylic acid
CAS 902036-88-8C21H24N2O5S2
(5Z)-5-(2-Fluorobenzylidene)-3-{4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl}-2-thioxo-1,3-thiazolidin-4-one chemical structure, C21H25FN2O3S2, CAS 902013-95-0
(5Z)-5-(2-Fluorobenzylidene)-3-{4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl}-2-thioxo-1,3-thiazolidin-4-one
CAS 902013-95-0C21H25FN2O3S2
1-{4-[(5Z)-5-(3-Methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}piperidine-4-carboxylic acid chemical structure, C21H24N2O5S2, CAS 902009-84-1
1-{4-[(5Z)-5-(3-Methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}piperidine-4-carboxylic acid
CAS 902009-84-1C21H24N2O5S2
1-{4-[(5Z)-5-(4-Methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}piperidine-4-carboxylic acid chemical structure, C21H24N2O5S2, CAS 892631-18-4
1-{4-[(5Z)-5-(4-Methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}piperidine-4-carboxylic acid
CAS 892631-18-4C21H24N2O5S2
(5Z)-5-(3-Fluorobenzylidene)-3-{4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl}-2-thioxo-1,3-thiazolidin-4-one chemical structure, C21H25FN2O3S2, CAS 902317-34-4
(5Z)-5-(3-Fluorobenzylidene)-3-{4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl}-2-thioxo-1,3-thiazolidin-4-one
CAS 902317-34-4C21H25FN2O3S2
3-{4-[2-(2-Hydroxyethyl)piperidyl]-4-oxobutyl}-5-[(4-methoxyphenyl)methylene]-2-thioxo-1,3-thiazolidin-4-one chemical structure, C22H28N2O4S2, CAS 892631-92-4
3-{4-[2-(2-Hydroxyethyl)piperidyl]-4-oxobutyl}-5-[(4-methoxyphenyl)methylene]-2-thioxo-1,3-thiazolidin-4-one
CAS 892631-92-4C22H28N2O4S2
3-{4-[2-(2-Hydroxyethyl)piperidyl]-4-oxobutyl}-5-[(3-methoxyphenyl)methylene]-2-thioxo-1,3-thiazolidin-4-one chemical structure, C22H28N2O4S2, CAS 902320-43-8
3-{4-[2-(2-Hydroxyethyl)piperidyl]-4-oxobutyl}-5-[(3-methoxyphenyl)methylene]-2-thioxo-1,3-thiazolidin-4-one
CAS 902320-43-8C22H28N2O4S2
(5Z)-5-Benzylidene-3-{4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl}-2-thioxo-1,3-thiazolidin-4-one chemical structure, C21H26N2O3S2, CAS 902309-44-8
(5Z)-5-Benzylidene-3-{4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl}-2-thioxo-1,3-thiazolidin-4-one
CAS 902309-44-8C21H26N2O3S2
(Z)-5-(3,4-Dimethoxybenzylidene)-3-(4-(4-methylpiperidin-1-yl)-4-oxobutyl)-2-thioxothiazolidin-4-one chemical structure, C22H28N2O4S2, CAS 681833-79-4
(Z)-5-(3,4-Dimethoxybenzylidene)-3-(4-(4-methylpiperidin-1-yl)-4-oxobutyl)-2-thioxothiazolidin-4-one
CAS 681833-79-4C22H28N2O4S2