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Murcko scaffold

Ring system with 4 rings and 28 atoms

20 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
28
Chemicals
20
With full pages
4
Scaffold SMILES

O=c1[nH]c(=O)c2c(nc(NN=Cc3ccccc3)n2CCc2ccccc2)[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(NN=Cc3ccccc3)n2CCc2ccccc2)[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 20 of 20 chemicals

8-{(2E)-2-[1-(4-Methoxyphenyl)ethylidene]hydrazinyl}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C23H24N6O3, CAS 300586-73-6
8-{(2E)-2-[1-(4-Methoxyphenyl)ethylidene]hydrazinyl}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 300586-73-6C23H24N6O3
8-{(2E)-2-[1-(4-Chlorophenyl)ethylidene]hydrazinyl}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H21ClN6O2, CAS 327100-95-8
8-{(2E)-2-[1-(4-Chlorophenyl)ethylidene]hydrazinyl}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 327100-95-8C22H21ClN6O2
8-[(2E)-2-(4-Methoxybenzylidene)hydrazinyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C22H22N6O3, CAS 370872-22-3
8-[(2E)-2-(4-Methoxybenzylidene)hydrazinyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 370872-22-3C22H22N6O3
(E)-8-(2-(4-Methoxybenzylidene)hydrazinyl)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H24N6O3, CAS 476668-42-5
(E)-8-(2-(4-Methoxybenzylidene)hydrazinyl)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
CAS 476668-42-5C23H24N6O3
(E)-8-(2-(4-Fluorobenzylidene)hydrazinyl)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H21FN6O2, CAS 682776-18-7
(E)-8-(2-(4-Fluorobenzylidene)hydrazinyl)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
CAS 682776-18-7C22H21FN6O2
8-[(2E)-2-(4-Bromobenzylidene)hydrazinyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione chemical structure, C21H19BrN6O2, CAS 327099-61-6
8-[(2E)-2-(4-Bromobenzylidene)hydrazinyl]-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
CAS 327099-61-6C21H19BrN6O2
(E)-1,3-Dimethyl-8-(2-(3-nitrobenzylidene)hydrazinyl)-7-phenethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H21N7O4, CAS 476668-40-3
(E)-1,3-Dimethyl-8-(2-(3-nitrobenzylidene)hydrazinyl)-7-phenethyl-1H-purine-2,6(3H,7H)-dione
CAS 476668-40-3C22H21N7O4
4-Ethoxybenzaldehyde [1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone chemical structure, C24H26N6O3, CAS 682776-12-1
4-Ethoxybenzaldehyde [1,3-dimethyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]hydrazone
CAS 682776-12-1C24H26N6O3
8-[(E)-2-[(4-Ethoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C23H24N6O3, CAS 949332-75-6
8-[(E)-2-[(4-Ethoxyphenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 949332-75-6C23H24N6O3
8-{[(1E)-2-(5-Bromo-2-methoxyphenyl)-1-azavinyl]amino}-3-methyl-7-(2-phenyleth yl)-1,3,7-trihydropurine-2,6-dione chemical structure, C22H21BrN6O3, CAS 949399-70-6
8-{[(1E)-2-(5-Bromo-2-methoxyphenyl)-1-azavinyl]amino}-3-methyl-7-(2-phenyleth yl)-1,3,7-trihydropurine-2,6-dione
CAS 949399-70-6C22H21BrN6O3
3-Methyl-8-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-7-(2-phenylethyl)purine-2,6-dione chemical structure, C22H22N6O2, CAS 949329-02-6
3-Methyl-8-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-7-(2-phenylethyl)purine-2,6-dione
CAS 949329-02-6C22H22N6O2
1,3-Dimethyl-8-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-7-(2-phenylethyl)purine-2,6-dione chemical structure, C23H24N6O2, CAS 949407-49-2
1,3-Dimethyl-8-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-7-(2-phenylethyl)purine-2,6-dione
CAS 949407-49-2C23H24N6O2
8-[(E)-2-[(4-Chlorophenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C21H19ClN6O2, CAS 949329-38-8
8-[(E)-2-[(4-Chlorophenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 949329-38-8C21H19ClN6O2
8-[(E)-2-[(4-Fluorophenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C21H19FN6O2, CAS 1799242-50-4
8-[(E)-2-[(4-Fluorophenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 1799242-50-4C21H19FN6O2
8-[(E)-2-[(2-Chlorophenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C21H19ClN6O2, CAS 1798964-71-2
8-[(E)-2-[(2-Chlorophenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 1798964-71-2C21H19ClN6O2
8-[(E)-2-[(2-Chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C21H18ClFN6O2, CAS 1799262-00-2
8-[(E)-2-[(2-Chloro-6-fluorophenyl)methylidene]hydrazin-1-yl]-3-methyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 1799262-00-2C21H18ClFN6O2
8-[(E)-2-[(4-Bromophenyl)methylidene]hydrazin-1-yl]-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C22H21BrN6O2, CAS 1799268-94-2
8-[(E)-2-[(4-Bromophenyl)methylidene]hydrazin-1-yl]-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 1799268-94-2C22H21BrN6O2
8-[(E)-2-[(4-Chlorophenyl)methylidene]hydrazin-1-yl]-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione chemical structure, C22H21ClN6O2, CAS 928031-11-2
8-[(E)-2-[(4-Chlorophenyl)methylidene]hydrazin-1-yl]-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS 928031-11-2C22H21ClN6O2
(E)-8-(2-(5-Bromo-2-hydroxybenzylidene)hydrazinyl)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C22H21BrN6O3, CAS 685106-26-7
(E)-8-(2-(5-Bromo-2-hydroxybenzylidene)hydrazinyl)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
CAS 685106-26-7C22H21BrN6O3
(E)-8-(2-(1-(4-Hydroxyphenyl)ethylidene)hydrazinyl)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione chemical structure, C23H24N6O3, CAS 682776-14-3
(E)-8-(2-(1-(4-Hydroxyphenyl)ethylidene)hydrazinyl)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
CAS 682776-14-3C23H24N6O3