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Murcko scaffold

Ring system with 3 rings and 18 atoms

37 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
37
With full pages
10
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(N3CCCCCC3)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(N3CCCCCC3)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 37 of 37 chemicals

8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione chemical structure, C14H21N5O2, CAS 7499-89-0
8-(Azepan-1-yl)-1,3,7-trimethylpurine-2,6-dione
CAS 7499-89-0C14H21N5O2
8-(Azepan-1-yl)-1,9-dimethyl-3-prop-2-enylpurine-2,6-dione chemical structure, C16H23N5O2, CAS 7468-16-8
8-(Azepan-1-yl)-1,9-dimethyl-3-prop-2-enylpurine-2,6-dione
CAS 7468-16-8C16H23N5O2
(8-Azepan-1-yl-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid ethyl ester chemical structure, C16H23N5O4, CAS 313528-23-3
(8-Azepan-1-yl-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid ethyl ester
CAS 313528-23-3C16H23N5O4
Pentyl 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate chemical structure, C19H29N5O4, CAS 326018-60-4
Pentyl 2-(8-(azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
CAS 326018-60-4C19H29N5O4
8-(Azepan-1-yl)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione chemical structure, C16H23N5O2, CAS 377062-16-3
8-(Azepan-1-yl)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
CAS 377062-16-3C16H23N5O2
7-Allyl-8-azepan-1-yl-3-methyl-3,7-dihydro-purine-2,6-dione chemical structure, C15H21N5O2, CAS 378201-92-4
7-Allyl-8-azepan-1-yl-3-methyl-3,7-dihydro-purine-2,6-dione
CAS 378201-92-4C15H21N5O2
8-(Azepan-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C12H17N5O2, CAS 299419-35-5
8-(Azepan-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 299419-35-5C12H17N5O2
8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H21N5O3, CAS 115294-84-3
8-(Azepan-1-yl)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 115294-84-3C14H21N5O3
8-(Azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C17H25N5O2, CAS 328271-31-4
8-(Azepan-1-yl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 328271-31-4C17H25N5O2
8-(Azepan-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H27N5O2, CAS 368840-85-1
8-(Azepan-1-yl)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 368840-85-1C17H27N5O2
8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione chemical structure, C14H21N5O2, CAS 313507-16-3
8-(Azepan-1-yl)-7-ethyl-3-methylpurine-2,6-dione
CAS 313507-16-3C14H21N5O2
8-(Azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C16H25N5O2, CAS 301355-18-0
8-(Azepan-1-yl)-7-isobutyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 301355-18-0C16H25N5O2
8-(Azepan-1-yl)-3-methyl-7-propan-2-ylpurine-2,6-dione chemical structure, C15H23N5O2, CAS 300732-88-1
8-(Azepan-1-yl)-3-methyl-7-propan-2-ylpurine-2,6-dione
CAS 300732-88-1C15H23N5O2
8-(Azepan-1-yl)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione chemical structure, C17H25N5O2, CAS 377064-00-1
8-(Azepan-1-yl)-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CAS 377064-00-1C17H25N5O2
2-(8-(Azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid chemical structure, C14H19N5O4, CAS 313549-56-3
2-(8-(Azepan-1-yl)-3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
CAS 313549-56-3C14H19N5O4
8-(Azepan-1-yl)-3-methyl-7-propylpurine-2,6-dione chemical structure, C15H23N5O2, CAS 313507-27-6
8-(Azepan-1-yl)-3-methyl-7-propylpurine-2,6-dione
CAS 313507-27-6C15H23N5O2
ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate chemical structure, C15H21N5O4, CAS 332388-38-2
ME (8-(1-Azepanyl)-3-methyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
CAS 332388-38-2C15H21N5O4
8-(Azepan-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C13H19N5O2, CAS 332116-03-7
8-(Azepan-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 332116-03-7C13H19N5O2
8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H24ClN5O2, CAS 478253-06-4
8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 478253-06-4C17H24ClN5O2
2-(8-(Azepan-1-yl)-7-isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide chemical structure, C19H30N6O3, CAS 300586-48-5
2-(8-(Azepan-1-yl)-7-isopentyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
CAS 300586-48-5C19H30N6O3
8-(Azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C16H25N5O3, CAS 868213-86-9
8-(Azepan-1-yl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 868213-86-9C16H25N5O3
8-(Azepan-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C15H23N5O3, CAS 333769-07-6
8-(Azepan-1-yl)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 333769-07-6C15H23N5O3
8-(Azepan-1-yl)-7-hexyl-3-methylpurine-2,6-dione chemical structure, C18H29N5O2, CAS 300388-89-0
8-(Azepan-1-yl)-7-hexyl-3-methylpurine-2,6-dione
CAS 300388-89-0C18H29N5O2
3-[8-(Azepan-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanenitrile chemical structure, C15H20N6O2, CAS 331235-49-5
3-[8-(Azepan-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]propanenitrile
CAS 331235-49-5C15H20N6O2