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Murcko scaffold

Ring system with 4 rings and 25 atoms

40 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
40
With full pages
10
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(CN3CCNCC3)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(CN3CCNCC3)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 40 of 40 chemicals

Ethyl 4-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate chemical structure, C23H30N6O4, CAS 838885-00-0
Ethyl 4-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
CAS 838885-00-0C23H30N6O4
Ethyl 4-({1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate chemical structure, C23H30N6O4, CAS 851938-79-9
Ethyl 4-({1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}methyl)piperazine-1-carboxylate
CAS 851938-79-9C23H30N6O4
Ethyl 4-[[7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate chemical structure, C24H32N6O4, CAS 851939-08-7
Ethyl 4-[[7-[(2,5-dimethylphenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
CAS 851939-08-7C24H32N6O4
7-(4-Chlorobenzyl)-1,3-dimethyl-8-((4-methylpiperazin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione chemical structure, C20H25ClN6O2, CAS 578750-47-7
7-(4-Chlorobenzyl)-1,3-dimethyl-8-((4-methylpiperazin-1-yl)methyl)-1H-purine-2,6(3H,7H)-dione
CAS 578750-47-7C20H25ClN6O2
7-Benzyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H26N6O2, CAS 797028-10-5
7-Benzyl-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 797028-10-5C20H26N6O2
7-(4-Chlorobenzyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H27ClN6O3, CAS 587011-31-2
7-(4-Chlorobenzyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 587011-31-2C21H27ClN6O3
7-(2-Chloro-6-fluorobenzyl)-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H26ClFN6O2, CAS 838874-06-9
7-(2-Chloro-6-fluorobenzyl)-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 838874-06-9C21H26ClFN6O2
Ethyl 4-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate chemical structure, C22H28N6O4, CAS 847241-20-7
Ethyl 4-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]piperazine-1-carboxylate
CAS 847241-20-7C22H28N6O4
Ethyl 4-{[3-methyl-7-(2-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate chemical structure, C22H28N6O4, CAS 862979-53-1
Ethyl 4-{[3-methyl-7-(2-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
CAS 862979-53-1C22H28N6O4
Ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate chemical structure, C23H30N6O4, CAS 862979-57-5
Ethyl 4-{[7-(2,5-dimethylbenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperazine-1-carboxylate
CAS 862979-57-5C23H30N6O4
Ethyl 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate chemical structure, C22H27FN6O4, CAS 851937-98-9
Ethyl 4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
CAS 851937-98-9C22H27FN6O4
Ethyl 4-[[7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate chemical structure, C22H26ClFN6O4, CAS 851938-56-2
Ethyl 4-[[7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
CAS 851938-56-2C22H26ClFN6O4
Ethyl 4-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate chemical structure, C23H30N6O4, CAS 851939-25-8
Ethyl 4-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
CAS 851939-25-8C23H30N6O4
7-(2-Chlorobenzyl)-8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H27ClN6O2, CAS 851938-92-6
7-(2-Chlorobenzyl)-8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 851938-92-6C21H27ClN6O2
7-(4-Chlorobenzyl)-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H27ClN6O2, CAS 851938-37-9
7-(4-Chlorobenzyl)-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 851938-37-9C21H27ClN6O2
Ethyl 4-[[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate chemical structure, C22H27ClN6O4, CAS 851940-07-3
Ethyl 4-[[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
CAS 851940-07-3C22H27ClN6O4
Ethyl 4-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate chemical structure, C22H27FN6O4, CAS 851939-44-1
Ethyl 4-[[7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
CAS 851939-44-1C22H27FN6O4
Ethyl 4-[[7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate chemical structure, C22H26Cl2N6O4, CAS 868146-59-2
Ethyl 4-[[7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
CAS 868146-59-2C22H26Cl2N6O4
8-[(4-Ethylpiperazin-1-yl)methyl]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H27FN6O2, CAS 851939-42-9
8-[(4-Ethylpiperazin-1-yl)methyl]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 851939-42-9C21H27FN6O2
7-(2,6-Dichlorobenzyl)-8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C21H26Cl2N6O2, CAS 868146-90-1
7-(2,6-Dichlorobenzyl)-8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS 868146-90-1C21H26Cl2N6O2
7-(2-Fluorobenzyl)-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione chemical structure, C20H25FN6O2, CAS 851939-41-8
7-(2-Fluorobenzyl)-1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
CAS 851939-41-8C20H25FN6O2
7-(3-Chlorobenzyl)-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H27ClN6O2, CAS 851940-04-0
7-(3-Chlorobenzyl)-8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 851940-04-0C21H27ClN6O2
Ethyl 4-[[7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate chemical structure, C22H26Cl2N6O4, CAS 877818-20-7
Ethyl 4-[[7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazine-1-carboxylate
CAS 877818-20-7C22H26Cl2N6O4
7-(2,4-Dichlorobenzyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H26Cl2N6O3, CAS 851940-30-2
7-(2,4-Dichlorobenzyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS 851940-30-2C21H26Cl2N6O3