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Murcko scaffold

Ring system with 4 rings and 25 atoms

27 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 25
Chemicals: 27
With full pages: 3

Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(Oc3ccccc3)n2Cc2ccccc2)[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(Oc3ccccc3)n2Cc2ccccc2)[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 27 of 27 chemicals

7-(3-Methoxybenzyl)-1,3-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H22N4O4, CAS 5302-97-6

7-(3-Methoxybenzyl)-1,3-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione

CAS 5302-97-6C₂₂H₂₂N₄O₄

7-Benzyl-8-(2,5-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H22N4O3, CAS 300839-81-0

7-Benzyl-8-(2,5-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

CAS 300839-81-0C₂₂H₂₂N₄O₃

Methyl 4-{[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate chemical structure, C22H18Cl2N4O5, CAS 384860-32-6

Methyl 4-{[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate

CAS 384860-32-6C₂₂H₁₈Cl₂N₄O₅

8-(2-Chlorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C20H16ClFN4O3, CAS 359694-65-8

8-(2-Chlorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione

CAS 359694-65-8C₂₀H₁₆ClFN₄O₃

Methyl 4-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate chemical structure, C22H20N4O5, CAS 665008-75-3

Methyl 4-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]benzoate

CAS 665008-75-3C₂₂H₂₀N₄O₅

Methyl 4-[7-[(3-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzoate chemical structure, C22H19FN4O5, CAS 333414-30-5

Methyl 4-[7-[(3-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzoate

CAS 333414-30-5C₂₂H₁₉FN₄O₅

8-(4-Fluorophenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione chemical structure, C21H19FN4O3, CAS 359688-99-6

8-(4-Fluorophenoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

CAS 359688-99-6C₂₁H₁₉FN₄O₃

Methyl 4-{[7-(3,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate chemical structure, C22H18Cl2N4O5, CAS 354121-61-2

Methyl 4-{[7-(3,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate

CAS 354121-61-2C₂₂H₁₈Cl₂N₄O₅

8-(2-Chlorophenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C20H16Cl2N4O3, CAS 359693-92-8

8-(2-Chlorophenoxy)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione

CAS 359693-92-8C₂₀H₁₆Cl₂N₄O₃

7-(2-Fluorobenzyl)-8-(4-fluorophenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C20H16F2N4O3, CAS 359694-87-4

7-(2-Fluorobenzyl)-8-(4-fluorophenoxy)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione

CAS 359694-87-4C₂₀H₁₆F₂N₄O₃

8-(4-Bromophenoxy)-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H16BrF3N4O3, CAS 317841-48-8

8-(4-Bromophenoxy)-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione

CAS 317841-48-8C₂₁H₁₆BrF₃N₄O₃

7-[(2-Fluorophenyl)methyl]-1,3-dimethyl-8-phenoxypurine-2,6-dione chemical structure, C20H17FN4O3, CAS 359694-31-8

7-[(2-Fluorophenyl)methyl]-1,3-dimethyl-8-phenoxypurine-2,6-dione

CAS 359694-31-8C₂₀H₁₇FN₄O₃

7-(4-Fluorobenzyl)-1,3-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H17FN4O3, CAS 359695-79-7

7-(4-Fluorobenzyl)-1,3-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione

CAS 359695-79-7C₂₀H₁₇FN₄O₃

7-[(4-Chlorophenyl)methyl]-1,3-dimethyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione chemical structure, C21H16ClF3N4O3, CAS 717860-65-6

7-[(4-Chlorophenyl)methyl]-1,3-dimethyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione

CAS 717860-65-6C₂₁H₁₆ClF₃N₄O₃

8-(4-Bromophenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C20H16BrClN4O3, CAS 317842-16-3

8-(4-Bromophenoxy)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione

CAS 317842-16-3C₂₀H₁₆BrClN₄O₃

7-(2-Chlorobenzyl)-8-(3,4-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H21ClN4O3, CAS 359692-10-7

7-(2-Chlorobenzyl)-8-(3,4-dimethylphenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

CAS 359692-10-7C₂₂H₂₁ClN₄O₃

7-[(2,4-Dichlorophenyl)methyl]-1,3-dimethyl-8-phenoxypurine-2,6-dione chemical structure, C20H16Cl2N4O3, CAS 359710-72-8

7-[(2,4-Dichlorophenyl)methyl]-1,3-dimethyl-8-phenoxypurine-2,6-dione

CAS 359710-72-8C₂₀H₁₆Cl₂N₄O₃

3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde chemical structure, C21H17ClN4O4, CAS 692275-07-3

3-[7-[(2-Chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]oxybenzaldehyde

CAS 692275-07-3C₂₁H₁₇ClN₄O₄

8-(2-Fluorophenoxy)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H19FN4O3, CAS 696615-49-3

8-(2-Fluorophenoxy)-1,3-dimethyl-7-(2-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

CAS 696615-49-3C₂₁H₁₉FN₄O₃

8-(2-Fluorophenoxy)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione chemical structure, C21H16F4N4O3, CAS 704875-00-3

8-(2-Fluorophenoxy)-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione

CAS 704875-00-3C₂₁H₁₆F₄N₄O₃

8-(2,4-Difluorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione chemical structure, C20H15F3N4O3, CAS 889950-37-2

8-(2,4-Difluorophenoxy)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione

CAS 889950-37-2C₂₀H₁₅F₃N₄O₃

HC-070 chemical structure, C22H20Cl2N4O4, CAS 1628291-95-1

CAS 1628291-95-1C₂₂H₂₀Cl₂N₄O₄

7-[(4-Chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione chemical structure, C23H20ClF3N4O5, CAS 1628287-16-0

7-[(4-Chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[3-(trifluoromethyloxy)phenoxy]purine-2,6-dione

CAS 1628287-16-0C₂₃H₂₀ClF₃N₄O₅

3-(7-(4-Chlorobenzyl)-3-methyl-2,6-dioxo-8-(3-(trifluoromethoxy)phenoxy)-2,3,6,7-tetrahydro-1H-purin-1-yl)propanenitrile chemical structure, C23H17ClF3N5O4, CAS 1628287-27-3

3-(7-(4-Chlorobenzyl)-3-methyl-2,6-dioxo-8-(3-(trifluoromethoxy)phenoxy)-2,3,6,7-tetrahydro-1H-purin-1-yl)propanenitrile

CAS 1628287-27-3C₂₃H₁₇ClF₃N₅O₄