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Murcko scaffold

Ring system with 4 rings and 22 atoms

70 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
70
With full pages
6
Scaffold SMILES

O=c1[nH]c(=Nc2ccccc2)cc2n1CCc1ccccc1-2

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(=Nc2ccccc2)cc2n1CCc1ccccc1-2

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 48 of 70 chemicals

Trequinsin chemical structure, C24H27N3O3, CAS 79855-88-2
Trequinsin
CAS 79855-88-2C24H27N3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-((2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate (1:1:2) chemical structure, C23H26ClN3O3, CAS 76536-65-7
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-((2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate (1:1:2)
CAS 76536-65-7C23H26ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate chemical structure, C24H28ClN3O3, CAS 76536-67-9
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(methyl(2,4,6-trimethylphenyl)amino)-, hydrochloride, hydrate
CAS 76536-67-9C24H28ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(ethyl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1) chemical structure, C25H29N3O3, CAS 76536-69-1
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-2-(ethyl(2,4,6-trimethylphenyl)amino)-, hydrate (2:1)
CAS 76536-69-1C25H29N3O3
4H-Pyrimido[6,1-a]isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-, hydrochloride (1:1) chemical structure, C24H28ClN3O3, CAS 78416-81-6
4H-Pyrimido[6,1-a]isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-, hydrochloride (1:1)
CAS 78416-81-6C24H28ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-(1-methylethyl)-2-((2,4,6-trimethylphenyl)imino)- chemical structure, C26H31N3O3, CAS 80023-89-8
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-(1-methylethyl)-2-((2,4,6-trimethylphenyl)imino)-
CAS 80023-89-8C26H31N3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-ethyl-2-((2,4,6-trimethylphenyl)imino)-, hydrochloride, hydrate (2:2:1) chemical structure, C25H30ClN3O3, CAS 80023-97-8
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3-ethyl-2-((2,4,6-trimethylphenyl)imino)-, hydrochloride, hydrate (2:2:1)
CAS 80023-97-8C25H30ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-7-methyl-2-((2,4,6-trimethylphenyl)amino-, monohydrochloride, (±)- chemical structure, C24H28ClN3O3, CAS 108445-39-2
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-7-methyl-2-((2,4,6-trimethylphenyl)amino-, monohydrochloride, (±)-
CAS 108445-39-2C24H28ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)- chemical structure, C24H28ClN3O3, CAS 108445-40-5
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)-
CAS 108445-40-5C24H28ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino-, monohydrochloride, (R)- chemical structure, C24H28ClN3O3, CAS 108445-41-6
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-methyl-2-((2,4,6-trimethylphenyl)amino-, monohydrochloride, (R)-
CAS 108445-41-6C24H28ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-ethyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)- chemical structure, C25H30ClN3O3, CAS 108445-42-7
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-ethyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (S)-
CAS 108445-42-7C25H30ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-ethyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (R)- chemical structure, C25H30ClN3O3, CAS 108445-43-8
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6-ethyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride, (R)-
CAS 108445-43-8C25H30ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6,7-dimethyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride chemical structure, C25H30ClN3O3, CAS 108445-44-9
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-6,7-dimethyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride
CAS 108445-44-9C25H30ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-7,7-dimethyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride chemical structure, C25H30ClN3O3, CAS 108445-45-0
4H-Pyrimido(6,1-a)isoquinolin-4-one, 6,7-dihydro-9,10-dimethoxy-7,7-dimethyl-2-((2,4,6-trimethylphenyl)amino)-, monohydrochloride
CAS 108445-45-0C25H30ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- chemical structure, C25H30ClN3O3, CAS 108445-52-9
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-
CAS 108445-52-9C25H30ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (R)- chemical structure, C25H30ClN3O3, CAS 108445-53-0
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6-dimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (R)-
CAS 108445-53-0C25H30ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)- chemical structure, C26H32ClN3O3, CAS 108445-55-2
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (S)-
CAS 108445-55-2C26H32ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (R)- chemical structure, C26H32ClN3O3, CAS 108445-56-3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-6-ethyl-3-methyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (R)-
CAS 108445-56-3C26H32ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride chemical structure, C26H32ClN3O3, CAS 108445-57-4
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,6,7-trimethyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride
CAS 108445-57-4C26H32ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-7-methyl-3-propyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (±)- chemical structure, C27H34ClN3O3, CAS 108445-58-5
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-7-methyl-3-propyl-2-((2,4,6-trimethylphenyl)imino)-, monohydrochloride, (±)-
CAS 108445-58-5C27H34ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-(phenylimino)-, monohydrochloride, (±)- chemical structure, C22H24ClN3O3, CAS 108445-72-3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-(phenylimino)-, monohydrochloride, (±)-
CAS 108445-72-3C22H24ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2-methylphenyl)imino)-, monohydrochloride, (±)- chemical structure, C23H26ClN3O3, CAS 108445-73-4
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2-methylphenyl)imino)-, monohydrochloride, (±)-
CAS 108445-73-4C23H26ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,4-dimethylphenyl)imino)-, monohydrochloride, (±)- chemical structure, C24H28ClN3O3, CAS 108445-74-5
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,4-dimethylphenyl)imino)-, monohydrochloride, (±)-
CAS 108445-74-5C24H28ClN3O3
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,6-dimethylphenyl)imino)-, monohydrochloride, (±)- chemical structure, C24H28ClN3O3, CAS 108445-75-6
4H-Pyrimido(6,1-a)isoquinolin-4-one, 2,3,6,7-tetrahydro-9,10-dimethoxy-3,7-dimethyl-2-((2,6-dimethylphenyl)imino)-, monohydrochloride, (±)-
CAS 108445-75-6C24H28ClN3O3