CompoundList
Sign in
Murcko scaffold

Ring system with 5 rings and 29 atoms

11 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
11
With full pages
5
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(N3CCCCC3)n2CCSc2nc3ccccc3s2)[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)c2c(nc(N3CCCCC3)n2CCSc2nc3ccccc3s2)[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 11 of 11 chemicals

1-{7-[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL}-4-piperidinecarboxamide chemical structure, C22H25N7O3S2, CAS 476482-20-9
1-{7-[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL}-4-piperidinecarboxamide
CAS 476482-20-9C22H25N7O3S2
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H24N6O2S2, CAS 501352-35-8
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 501352-35-8C21H24N6O2S2
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C22H26N6O2S2, CAS 685860-68-8
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-1,3-dimethyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 685860-68-8C22H26N6O2S2
7-[2-(1,3-Benzothiazol-2-ylthio)ethyl]-1,3-dimethyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione chemical structure, C22H26N6O2S2, CAS 850914-53-3
7-[2-(1,3-Benzothiazol-2-ylthio)ethyl]-1,3-dimethyl-8-(3-methyl-1-piperidinyl)purine-2,6-dione
CAS 850914-53-3C22H26N6O2S2
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H22N6O2S2, CAS 501352-25-6
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 501352-25-6C20H22N6O2S2
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H24N6O2S2, CAS 685860-44-0
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 685860-44-0C21H24N6O2S2
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H28N6O2S2, CAS 685860-69-9
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 685860-69-9C23H28N6O2S2
1-{7-[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL}-4-piperidinecarboxamide chemical structure, C21H23N7O3S2, CAS 476482-58-3
1-{7-[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-YL}-4-piperidinecarboxamide
CAS 476482-58-3C21H23N7O3S2
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione chemical structure, C21H24N6O2S2, CAS 850914-18-0
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-3-methyl-8-(3-methylpiperidin-1-yl)-1H-purine-2,6(3H,7H)-dione
CAS 850914-18-0C21H24N6O2S2
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-8-(3,5-dimethylpiperidin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H26N6O2S2, CAS 685860-48-4
7-(2-(Benzo[d]thiazol-2-ylthio)ethyl)-8-(3,5-dimethylpiperidin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CAS 685860-48-4C22H26N6O2S2
7-[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(2-methylpiperidin-1-yl)purine-2,6-dione chemical structure, C22H26N6O2S2, CAS 896597-36-7
7-[2-(1,3-Benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(2-methylpiperidin-1-yl)purine-2,6-dione
CAS 896597-36-7C22H26N6O2S2