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Murcko scaffold

Ring system with 3 rings and 15 atoms

36 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
15
Chemicals
36
With full pages
7
Scaffold SMILES

O=c1[nH]c(=S)[nH]c2cc3c(cc12)OCO3

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=c1[nH]c(=S)[nH]c2cc3c(cc12)OCO3

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 36 of 36 chemicals

7-(3-Ethoxypropyl)-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one chemical structure, C14H16N2O4S, CAS 689228-24-8
7-(3-Ethoxypropyl)-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
CAS 689228-24-8C14H16N2O4S
N-Isopropyl-4-(8-oxo-6-thioxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide chemical structure, C16H19N3O4S, CAS 688054-15-1
N-Isopropyl-4-(8-oxo-6-thioxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)butanamide
CAS 688054-15-1C16H19N3O4S
N-[2-(Diethylamino)ethyl]-3-(8-oxo-6-thioxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide chemical structure, C18H24N4O4S, CAS 688054-95-7
N-[2-(Diethylamino)ethyl]-3-(8-oxo-6-thioxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)propanamide
CAS 688054-95-7C18H24N4O4S
7-[2-(Diethylamino)ethyl]-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one chemical structure, C15H19N3O3S, CAS 689228-85-1
7-[2-(Diethylamino)ethyl]-6-thioxo-6,7-dihydro[1,3]dioxolo[4,5-g]quinazolin-8(5H)-one
CAS 689228-85-1C15H19N3O3S
7-(3-Propan-2-yloxypropyl)-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one chemical structure, C15H18N2O4S, CAS 688053-28-3
7-(3-Propan-2-yloxypropyl)-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
CAS 688053-28-3C15H18N2O4S
N-Isopropyl-6-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)hexanamide chemical structure, C18H23N3O4S, CAS 688053-42-1
N-Isopropyl-6-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)hexanamide
CAS 688053-42-1C18H23N3O4S
N-(3-Methylbutyl)-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide chemical structure, C18H23N3O4S, CAS 688054-17-3
N-(3-Methylbutyl)-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide
CAS 688054-17-3C18H23N3O4S
N-(2,2-Dimethoxyethyl)-4-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)butanamide chemical structure, C17H21N3O6S, CAS 688054-23-1
N-(2,2-Dimethoxyethyl)-4-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)butanamide
CAS 688054-23-1C17H21N3O6S
N-(2-Methoxyethyl)-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide chemical structure, C15H17N3O5S, CAS 688054-88-8
N-(2-Methoxyethyl)-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide
CAS 688054-88-8C15H17N3O5S
4-(8-Oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)butanoic acid chemical structure, C13H12N2O5S, CAS 689228-20-4
4-(8-Oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)butanoic acid
CAS 689228-20-4C13H12N2O5S
3-(8-Oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-prop-2-enylpropanamide chemical structure, C15H15N3O4S, CAS 688054-84-4
3-(8-Oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-prop-2-enylpropanamide
CAS 688054-84-4C15H15N3O4S
N-Isopropyl-3-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide chemical structure, C15H17N3O4S, CAS 688054-85-5
N-Isopropyl-3-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide
CAS 688054-85-5C15H17N3O4S
N-(3-Methoxypropyl)-4-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)butanamide chemical structure, C17H21N3O5S, CAS 688054-19-5
N-(3-Methoxypropyl)-4-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)butanamide
CAS 688054-19-5C17H21N3O5S
7-(2-Methoxyethyl)-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one chemical structure, C12H12N2O4S, CAS 689228-33-9
7-(2-Methoxyethyl)-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
CAS 689228-33-9C12H12N2O4S
N-Butyl-3-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide chemical structure, C16H19N3O4S, CAS 688054-86-6
N-Butyl-3-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide
CAS 688054-86-6C16H19N3O4S
N-(2-Acetamidoethyl)-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide chemical structure, C17H20N4O5S, CAS 688054-24-2
N-(2-Acetamidoethyl)-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide
CAS 688054-24-2C17H20N4O5S
N-(2-Methoxyethyl)-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide chemical structure, C16H19N3O5S, CAS 688054-18-4
N-(2-Methoxyethyl)-4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide
CAS 688054-18-4C16H19N3O5S
4-(8-Oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-prop-2-enylbutanamide chemical structure, C16H17N3O4S, CAS 688054-14-0
4-(8-Oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-prop-2-enylbutanamide
CAS 688054-14-0C16H17N3O4S
N-(3-Methylbutyl)-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide chemical structure, C20H27N3O4S, CAS 688053-44-3
N-(3-Methylbutyl)-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide
CAS 688053-44-3C20H27N3O4S
7-[3-(Diethylamino)propyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one chemical structure, C16H21N3O3S, CAS 689228-37-3
7-[3-(Diethylamino)propyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
CAS 689228-37-3C16H21N3O3S
N-(2-Methoxyethyl)-6-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)hexanamide chemical structure, C18H23N3O5S, CAS 688053-45-4
N-(2-Methoxyethyl)-6-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)hexanamide
CAS 688053-45-4C18H23N3O5S
6-(8-Oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-prop-2-enylhexanamide chemical structure, C18H21N3O4S, CAS 688053-41-0
6-(8-Oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-prop-2-enylhexanamide
CAS 688053-41-0C18H21N3O4S
N-Isopentyl-3-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide chemical structure, C17H21N3O4S, CAS 688054-87-7
N-Isopentyl-3-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide
CAS 688054-87-7C17H21N3O4S
7-[2-[Butyl(methyl)amino]ethyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one chemical structure, C16H21N3O3S, CAS 689228-86-2
7-[2-[Butyl(methyl)amino]ethyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
CAS 689228-86-2C16H21N3O3S