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Murcko scaffold

Ring system with 4 rings and 18 atoms

22 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
18
Chemicals
22
With full pages
2
Scaffold SMILES

O=c1[nH]cnc2c1ncn2C1OCC2OCOC21

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]cnc2c1ncn2C1OCC2OCOC21

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 22 of 22 chemicals

8-Bromo-2',3'-o-(1-methylethylidene)-inosine chemical structure, C13H15BrN4O5, CAS 23339-40-4
8-Bromo-2',3'-o-(1-methylethylidene)-inosine
CAS 23339-40-4C13H15BrN4O5
2',3'-Isopropylideneguanosine chemical structure, C13H17N5O5, CAS 362-76-5
2',3'-Isopropylideneguanosine
CAS 362-76-5C13H17N5O5
2',3'-O-(1-Methoxyethylidene)inosine chemical structure, C13H16N4O6, CAS 65870-99-7
2',3'-O-(1-Methoxyethylidene)inosine
CAS 65870-99-7C13H16N4O6
2',3'-O-(1-Methylethylidene)inosine chemical structure, C13H16N4O5, CAS 2140-11-6
2',3'-O-(1-Methylethylidene)inosine
CAS 2140-11-6C13H16N4O5
2-Amino-9-[5-o-carbamoyl-2,3-o-(1-methylethylidene)pentofuranosyl]-3,9-dihydro-6H-purin-6-one chemical structure, C14H18N6O6, CAS 42021-81-8
2-Amino-9-[5-o-carbamoyl-2,3-o-(1-methylethylidene)pentofuranosyl]-3,9-dihydro-6H-purin-6-one
CAS 42021-81-8C14H18N6O6
Inosine, 2',3'-O-(1-methylethylidene)-, 5'-acetate chemical structure, C15H18N4O6, CAS 15888-39-8
Inosine, 2',3'-O-(1-methylethylidene)-, 5'-acetate
CAS 15888-39-8C15H18N4O6
9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-2-amino-3,9-dihydro-6H-purin-6-one chemical structure, C15H19N5O6, CAS 52417-04-6
9-[5-o-Acetyl-2,3-o-(1-methylethylidene)pentofuranosyl]-2-amino-3,9-dihydro-6H-purin-6-one
CAS 52417-04-6C15H19N5O6
2-Amino-9-[6-(azidomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-purin-6-one chemical structure, C13H16N8O4, CAS 25030-19-7
2-Amino-9-[6-(azidomethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-purin-6-one
CAS 25030-19-7C13H16N8O4
2',3'-O-(1-Methoxyethylidene)inosine, (S)- chemical structure, C13H16N4O6, CAS 2113734-29-3
2',3'-O-(1-Methoxyethylidene)inosine, (S)-
CAS 2113734-29-3C13H16N4O6
2',3'-O-(1-Methoxyethylidene)inosine, (R)- chemical structure, C13H16N4O6, CAS 2113734-28-2
2',3'-O-(1-Methoxyethylidene)inosine, (R)-
CAS 2113734-28-2C13H16N4O6
Inosine 2',3'-O-(1-(6-aminohexyl)levulinic acid amide)acetal 5'-monophosphate chemical structure, C21H33N6O9P, CAS 75204-35-2
Inosine 2',3'-O-(1-(6-aminohexyl)levulinic acid amide)acetal 5'-monophosphate
CAS 75204-35-2C21H33N6O9P
((3AR,4R,6R,6aR)-6-(2-acetamido-6-oxo-1H-purin-9(6H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl acetate chemical structure, C17H21N5O7, CAS 106743-56-0
((3AR,4R,6R,6aR)-6-(2-acetamido-6-oxo-1H-purin-9(6H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl acetate
CAS 106743-56-0C17H21N5O7
(3aS,4S,6R,6aR)-6-(6-Hydroxy-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acid chemical structure, C13H14N4O6, CAS 28440-13-3
(3aS,4S,6R,6aR)-6-(6-Hydroxy-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acid
CAS 28440-13-3C13H14N4O6
((3AR,4R,6R,6aR)-6-(2-amino-6-oxo-1H-purin-9(6H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl acetate chemical structure, C15H19N5O6
((3AR,4R,6R,6aR)-6-(2-amino-6-oxo-1H-purin-9(6H)-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl acetate
C15H19N5O6
2-Amino-9-[2,3-O-(1-methylethylidene)-beta-D-ribofuranuronosyl]-3,9-dihydro-6H-purin-6-one chemical structure, C13H15N5O6, CAS 219755-20-1
2-Amino-9-[2,3-O-(1-methylethylidene)-beta-D-ribofuranuronosyl]-3,9-dihydro-6H-purin-6-one
CAS 219755-20-1C13H15N5O6
2',3'-O-(1-Methylethylidene)-N-(2-methyl-1-oxopropyl)guanosine chemical structure, C17H23N5O6, CAS 132840-60-9
2',3'-O-(1-Methylethylidene)-N-(2-methyl-1-oxopropyl)guanosine
CAS 132840-60-9C17H23N5O6
N-[(Dimethylamino)methylene]-2',3'-O-(methoxymethylene)guanosine chemical structure, C15H20N6O6, CAS 1315092-28-4
N-[(Dimethylamino)methylene]-2',3'-O-(methoxymethylene)guanosine
CAS 1315092-28-4C15H20N6O6
5'-Bromo-5'-deoxy-2',3'-O-(1-methylethylidene)-inosine chemical structure, C13H15BrN4O4, CAS 31698-26-7
5'-Bromo-5'-deoxy-2',3'-O-(1-methylethylidene)-inosine
CAS 31698-26-7C13H15BrN4O4
N'-[9-[6-(Hydroxymethyl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide chemical structure, C15H20N6O6
N'-[9-[6-(Hydroxymethyl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide
C15H20N6O6
N-[(Dimethylamino)methylene]-2,3-O-(methoxymethylene)guanosine chemical structure, C15H20N6O6
N-[(Dimethylamino)methylene]-2,3-O-(methoxymethylene)guanosine
C15H20N6O6
I(2)-D-Ribofuranuronic acid, 1-deoxy-1-(1,6-dihydro-6-oxo-9H-purin-9-yl)-2,3-O-(1-methylethylidene)-, 1-methylethyl ester chemical structure, C16H20N4O6, CAS 28440-14-4
I(2)-D-Ribofuranuronic acid, 1-deoxy-1-(1,6-dihydro-6-oxo-9H-purin-9-yl)-2,3-O-(1-methylethylidene)-, 1-methylethyl ester
CAS 28440-14-4C16H20N4O6
N'-(9-((3AR,4R,6R,6aR)-6-(hydroxymethyl)-2-methoxytetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)-N,N-dimethylformimidamide chemical structure, C15H20N6O6
N'-(9-((3AR,4R,6R,6aR)-6-(hydroxymethyl)-2-methoxytetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)-N,N-dimethylformimidamide
C15H20N6O6