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Murcko scaffold

Ring system with 5 rings and 28 atoms

27 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
27
With full pages
2
Scaffold SMILES

O=c1[nH]c2nc3n(c2c(=O)n1Cc1ccccc1)CCCN3C1CCCCC1

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]c2nc3n(c2c(=O)n1Cc1ccccc1)CCCN3C1CCCCC1

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

3-Benzyl-9-cyclohexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C22H27N5O2, CAS 850238-94-7
3-Benzyl-9-cyclohexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 850238-94-7C22H27N5O2
9-Cyclohexyl-3-[(4-fluorophenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C22H26FN5O2, CAS 877803-33-3
9-Cyclohexyl-3-[(4-fluorophenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 877803-33-3C22H26FN5O2
3-[(4-Chlorophenyl)methyl]-9-cyclohexyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H28ClN5O2, CAS 862487-84-1
3-[(4-Chlorophenyl)methyl]-9-cyclohexyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 862487-84-1C23H28ClN5O2
9-Cyclohexyl-3-[(3,4-dichlorophenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C22H25Cl2N5O2, CAS 850189-13-8
9-Cyclohexyl-3-[(3,4-dichlorophenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 850189-13-8C22H25Cl2N5O2
3-(4-Chlorobenzyl)-9-cyclohexyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C22H26ClN5O2, CAS 877799-95-6
3-(4-Chlorobenzyl)-9-cyclohexyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877799-95-6C22H26ClN5O2
9-Cyclohexyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H29N5O2, CAS 850243-73-1
9-Cyclohexyl-1-methyl-3-[(4-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 850243-73-1C23H29N5O2
9-Cyclohexyl-3-[(2,4-dichlorophenyl)methyl]-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H27Cl2N5O2, CAS 850243-25-3
9-Cyclohexyl-3-[(2,4-dichlorophenyl)methyl]-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 850243-25-3C23H27Cl2N5O2
3-[(2-Chlorophenyl)methyl]-9-cyclohexyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H28ClN5O2, CAS 877646-94-1
3-[(2-Chlorophenyl)methyl]-9-cyclohexyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 877646-94-1C23H28ClN5O2
9-Cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H29N5O2, CAS 849922-37-8
9-Cyclohexyl-1-methyl-3-[(3-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 849922-37-8C23H29N5O2
9-Cyclohexyl-1-methyl-3-[(2-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C23H29N5O2, CAS 876151-21-2
9-Cyclohexyl-1-methyl-3-[(2-methylphenyl)methyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 876151-21-2C23H29N5O2
9-Cyclohexyl-3-[(2-fluorophenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C22H26FN5O2, CAS 876151-22-3
9-Cyclohexyl-3-[(2-fluorophenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 876151-22-3C22H26FN5O2
9-Cyclohexyl-3-[(2,5-dimethylphenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione chemical structure, C24H31N5O2, CAS 876151-24-5
9-Cyclohexyl-3-[(2,5-dimethylphenyl)methyl]-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
CAS 876151-24-5C24H31N5O2
3-Benzyl-9-cyclohexyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H29N5O2, CAS 877616-41-6
3-Benzyl-9-cyclohexyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877616-41-6C23H29N5O2
9-Cyclohexyl-3-(4-fluorobenzyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H28FN5O2, CAS 877616-44-9
9-Cyclohexyl-3-(4-fluorobenzyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877616-44-9C23H28FN5O2
9-Cyclohexyl-1,7-dimethyl-3-(3-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H31N5O2, CAS 877616-46-1
9-Cyclohexyl-1,7-dimethyl-3-(3-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877616-46-1C24H31N5O2
3-(3-Chlorobenzyl)-9-cyclohexyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C22H26ClN5O2, CAS 876151-25-6
3-(3-Chlorobenzyl)-9-cyclohexyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 876151-25-6C22H26ClN5O2
9-Cyclohexyl-1,7-dimethyl-3-(4-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H31N5O2, CAS 877616-42-7
9-Cyclohexyl-1,7-dimethyl-3-(4-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877616-42-7C24H31N5O2
3-(4-Bromobenzyl)-9-cyclohexyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C22H26BrN5O2, CAS 876151-23-4
3-(4-Bromobenzyl)-9-cyclohexyl-1-methyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 876151-23-4C22H26BrN5O2
3-(2-Chloro-6-fluorobenzyl)-9-cyclohexyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H27ClFN5O2, CAS 877616-50-7
3-(2-Chloro-6-fluorobenzyl)-9-cyclohexyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877616-50-7C23H27ClFN5O2
3-(4-Bromobenzyl)-9-cyclohexyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H28BrN5O2, CAS 877616-47-2
3-(4-Bromobenzyl)-9-cyclohexyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877616-47-2C23H28BrN5O2
3-(3-Chlorobenzyl)-9-cyclohexyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H28ClN5O2, CAS 877616-49-4
3-(3-Chlorobenzyl)-9-cyclohexyl-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877616-49-4C23H28ClN5O2
9-Cyclohexyl-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C24H31N5O2, CAS 877616-43-8
9-Cyclohexyl-1,7-dimethyl-3-(2-methylbenzyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877616-43-8C24H31N5O2
9-Cyclohexyl-3-(2-fluorobenzyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione chemical structure, C23H28FN5O2, CAS 877616-45-0
9-Cyclohexyl-3-(2-fluorobenzyl)-1,7-dimethyl-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
CAS 877616-45-0C23H28FN5O2
3-[(2,5-Dimethylphenyl)methyl]-9-cyclohexyl-1,7-dimethyl-1,3,5-trihydro-6H,7H, 8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione chemical structure, C25H33N5O2, CAS 877616-48-3
3-[(2,5-Dimethylphenyl)methyl]-9-cyclohexyl-1,7-dimethyl-1,3,5-trihydro-6H,7H, 8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione
CAS 877616-48-3C25H33N5O2