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Murcko scaffold

Ring system with 3 rings and 17 atoms

41 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
41
With full pages
13
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(N3CCOCC3)nc2[nH]1

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(=O)c2[nH]c(N3CCOCC3)nc2[nH]1

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 41 of 41 chemicals

Caffeine, 8-morpholino- chemical structure, C12H17N5O3, CAS 30958-52-2
Caffeine, 8-morpholino-
CAS 30958-52-2C12H17N5O3
7-(3-Fluoro-2-hydroxypropyl)-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione chemical structure, C14H20FN5O4, CAS 61562-60-5
7-(3-Fluoro-2-hydroxypropyl)-1,3-dimethyl-8-morpholin-4-ylpurine-2,6-dione
CAS 61562-60-5C14H20FN5O4
Ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate chemical structure, C14H19N5O5, CAS 331235-51-9
Ethyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
CAS 331235-51-9C14H19N5O5
Pentyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate chemical structure, C17H25N5O5, CAS 301355-17-9
Pentyl 2-(3-methyl-8-morpholino-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
CAS 301355-17-9C17H25N5O5
2-(3-Methyl-8-morpholino-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide chemical structure, C17H26N6O4, CAS 300835-41-0
2-(3-Methyl-8-morpholino-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
CAS 300835-41-0C17H26N6O4
2-(7-Isopentyl-3-methyl-8-morpholino-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide chemical structure, C17H26N6O4, CAS 302800-49-3
2-(7-Isopentyl-3-methyl-8-morpholino-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
CAS 302800-49-3C17H26N6O4
3-Methyl-7-(2-methylallyl)-8-morpholino-1H-purine-2,6(3H,7H)-dione chemical structure, C14H19N5O3, CAS 331666-68-3
3-Methyl-7-(2-methylallyl)-8-morpholino-1H-purine-2,6(3H,7H)-dione
CAS 331666-68-3C14H19N5O3
3-Methyl-7-(3-methylbutyl)-8-morpholin-4-ylpurine-2,6-dione chemical structure, C15H23N5O3, CAS 313530-76-6
3-Methyl-7-(3-methylbutyl)-8-morpholin-4-ylpurine-2,6-dione
CAS 313530-76-6C15H23N5O3
1,3-Dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C11H15N5O3, CAS 30958-49-7
1,3-Dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione
CAS 30958-49-7C11H15N5O3
1,3-Dimethyl-7-(2-methyl-allyl)-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione chemical structure, C15H21N5O3, CAS 377062-89-0
1,3-Dimethyl-7-(2-methyl-allyl)-8-morpholin-4-yl-3,7-dihydro-purine-2,6-dione
CAS 377062-89-0C15H21N5O3
7-[(Z)-3-Chlorobut-2-enyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione chemical structure, C14H18ClN5O3, CAS 106960-61-6
7-[(Z)-3-Chlorobut-2-enyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione
CAS 106960-61-6C14H18ClN5O3
2-(3-Methyl-8-morpholin-4-yl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetamide chemical structure, C12H16N6O4, CAS 301353-84-4
2-(3-Methyl-8-morpholin-4-yl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetamide
CAS 301353-84-4C12H16N6O4
3-Methyl-8-morpholin-4-yl-7H-purine-2,6-dione chemical structure, C10H13N5O3, CAS 318271-91-9
3-Methyl-8-morpholin-4-yl-7H-purine-2,6-dione
CAS 318271-91-9C10H13N5O3
3-Methyl-8-morpholin-4-yl-7-prop-2-enylpurine-2,6-dione chemical structure, C13H17N5O3, CAS 377049-51-9
3-Methyl-8-morpholin-4-yl-7-prop-2-enylpurine-2,6-dione
CAS 377049-51-9C13H17N5O3
7-Isopentyl-1,3-dimethyl-8-morpholino-1H-purine-2,6(3H,7H)-dione chemical structure, C16H25N5O3, CAS 378209-50-8
7-Isopentyl-1,3-dimethyl-8-morpholino-1H-purine-2,6(3H,7H)-dione
CAS 378209-50-8C16H25N5O3
ME (3-ME-8-(4-Morpholinyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate chemical structure, C13H17N5O5, CAS 332388-37-1
ME (3-ME-8-(4-Morpholinyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
CAS 332388-37-1C13H17N5O5
1,3-Dimethyl-8-morpholin-4-yl-7-prop-2-enylpurine-2,6-dione chemical structure, C14H19N5O3, CAS 30958-61-3
1,3-Dimethyl-8-morpholin-4-yl-7-prop-2-enylpurine-2,6-dione
CAS 30958-61-3C14H19N5O3
Ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate chemical structure, C15H21N5O5, CAS 329700-38-1
Ethyl 2-(3,7-dimethyl-8-morpholin-4-yl-2,6-dioxopurin-1-yl)acetate
CAS 329700-38-1C15H21N5O5
8-(2,6-Dimethylmorpholin-4-yl)-1,3,7-trimethylpurine-2,6-dione chemical structure, C14H21N5O3, CAS 383161-52-2
8-(2,6-Dimethylmorpholin-4-yl)-1,3,7-trimethylpurine-2,6-dione
CAS 383161-52-2C14H21N5O3
7-(2-Methoxyethyl)-3-methyl-8-morpholin-4-ylpurine-2,6-dione chemical structure, C13H19N5O4, CAS 330202-51-2
7-(2-Methoxyethyl)-3-methyl-8-morpholin-4-ylpurine-2,6-dione
CAS 330202-51-2C13H19N5O4
7-(2-Methoxyethyl)-1,3-dimethyl-8-morpholino-1H-purine-2,6(3H,7H)-dione chemical structure, C14H21N5O4, CAS 378204-94-5
7-(2-Methoxyethyl)-1,3-dimethyl-8-morpholino-1H-purine-2,6(3H,7H)-dione
CAS 378204-94-5C14H21N5O4
Theophylline, 7-(acetylmethyl)-8-morpholino-, hydrochloride chemical structure, C14H20ClN5O4, CAS 74039-60-4
Theophylline, 7-(acetylmethyl)-8-morpholino-, hydrochloride
CAS 74039-60-4C14H20ClN5O4
1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-8-(4-morpholinyl)-7-nonyl- chemical structure, C19H31N5O3, CAS 106939-23-5
1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-8-(4-morpholinyl)-7-nonyl-
CAS 106939-23-5C19H31N5O3
3-Methyl-8-morpholin-4-yl-7-pentylpurine-2,6-dione chemical structure, C15H23N5O3, CAS 313646-06-9
3-Methyl-8-morpholin-4-yl-7-pentylpurine-2,6-dione
CAS 313646-06-9C15H23N5O3