CompoundList
Sign in
Murcko scaffold

Ring system with 3 rings and 18 atoms

19 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
19
With full pages
5
Scaffold SMILES

O=c1[nH]c(=O)c2[nH]c(NC3CCCCC3)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(NC3CCCCC3)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 19 of 19 chemicals

8-(Cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C13H19N5O2, CAS 5463-55-8
8-(Cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 5463-55-8C13H19N5O2
8-(Cyclohexylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C17H27N5O2, CAS 361174-82-5
8-(Cyclohexylamino)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 361174-82-5C17H27N5O2
8-(Cyclohexylamino)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C14H21N5O2, CAS 333751-98-7
8-(Cyclohexylamino)-7-ethyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 333751-98-7C14H21N5O2
8-(Cyclohexylamino)-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C15H23N5O2, CAS 333752-16-2
8-(Cyclohexylamino)-7-ethyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 333752-16-2C15H23N5O2
8-(Cyclohexylamino)-1,3-dimethyl-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C16H23N5O2, CAS 378200-77-2
8-(Cyclohexylamino)-1,3-dimethyl-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 378200-77-2C16H23N5O2
8-(Cyclohexylamino)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C14H21N5O3, CAS 476481-09-1
8-(Cyclohexylamino)-7-(2-hydroxyethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 476481-09-1C14H21N5O3
2-[8-(Cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetic acid chemical structure, C14H19N5O4, CAS 115398-45-3
2-[8-(Cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetic acid
CAS 115398-45-3C14H19N5O4
8-(Cyclohexylamino)-3-methyl-7-pentylpurine-2,6-dione chemical structure, C17H27N5O2, CAS 378211-65-5
8-(Cyclohexylamino)-3-methyl-7-pentylpurine-2,6-dione
CAS 378211-65-5C17H27N5O2
3-(8-(Cyclohexylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile chemical structure, C16H22N6O2, CAS 476481-04-6
3-(8-(Cyclohexylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanenitrile
CAS 476481-04-6C16H22N6O2
2-[8-(Cyclohexylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid chemical structure, C15H21N5O4, CAS 876891-30-4
2-[8-(Cyclohexylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid
CAS 876891-30-4C15H21N5O4
8-(Cyclohexylamino)-7-heptyl-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C19H31N5O2, CAS 106939-19-9
8-(Cyclohexylamino)-7-heptyl-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 106939-19-9C19H31N5O2
7-Butyl-8-(cyclohexylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C16H25N5O2, CAS 476480-81-6
7-Butyl-8-(cyclohexylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CAS 476480-81-6C16H25N5O2
7-(3-CL-2-Butenyl)-8-(cyclohexylamino)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione chemical structure, C17H24ClN5O2, CAS 478252-92-5
7-(3-CL-2-Butenyl)-8-(cyclohexylamino)-1,3-DI-ME-3,7-dihydro-1H-purine-2,6-dione
CAS 478252-92-5C17H24ClN5O2
8-(Cyclohexylamino)-7-(2-hydroxy-3-prop-2-enoxypropyl)-1,3-dimethylpurine-2,6-dione chemical structure, C19H29N5O4, CAS 876891-86-0
8-(Cyclohexylamino)-7-(2-hydroxy-3-prop-2-enoxypropyl)-1,3-dimethylpurine-2,6-dione
CAS 876891-86-0C19H29N5O4
8-(Cyclohexylamino)-7-(2-hydroxy-3-prop-2-enoxypropyl)-3-methylpurine-2,6-dione chemical structure, C18H27N5O4, CAS 876893-39-9
8-(Cyclohexylamino)-7-(2-hydroxy-3-prop-2-enoxypropyl)-3-methylpurine-2,6-dione
CAS 876893-39-9C18H27N5O4
2-(8-(Cyclohexyl(methyl)amino)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid chemical structure, C16H23N5O4, CAS 1021250-55-4
2-(8-(Cyclohexyl(methyl)amino)-1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
CAS 1021250-55-4C16H23N5O4
(Z)-7-(3-Chlorobut-2-en-1-yl)-8-(cyclohexylamino)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C16H22ClN5O2, CAS 946228-22-4
(Z)-7-(3-Chlorobut-2-en-1-yl)-8-(cyclohexylamino)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 946228-22-4C16H22ClN5O2
8-(Cyclohexylamino)-1-ethyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C15H23N5O2, CAS 1203347-01-6
8-(Cyclohexylamino)-1-ethyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 1203347-01-6C15H23N5O2
8-(Cyclohexylamino)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C15H23N5O3, CAS 1251690-49-9
8-(Cyclohexylamino)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 1251690-49-9C15H23N5O3