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Murcko scaffold

RefChem:313930 scaffold

19 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
19
With full pages
8
Scaffold SMILES

O=c1cc(-c2ccccc2)nc(SCc2ccccc2)[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 scaffoldOpen the RefChem:313930 page
Murcko scaffold O=c1cc(-c2ccccc2)nc(SCc2ccccc2)[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 19 of 19 chemicals

2-[(2-Chlorobenzyl)sulfanyl]-4-hydroxy-6-phenyl-5-pyrimidinecarbonitrile chemical structure, C18H12ClN3OS, CAS 303985-05-9
2-[(2-Chlorobenzyl)sulfanyl]-4-hydroxy-6-phenyl-5-pyrimidinecarbonitrile
CAS 303985-05-9C18H12ClN3OS
2-(Benzylsulfanyl)-4-hydroxy-6-phenyl-5-pyrimidinecarbonitrile chemical structure, C18H13N3OS, CAS 126277-91-6
2-(Benzylsulfanyl)-4-hydroxy-6-phenyl-5-pyrimidinecarbonitrile
CAS 126277-91-6C18H13N3OS
RefChem:313930 chemical structure, C17H14N2OS, CAS 62459-17-0
RefChem:313930
CAS 62459-17-0C17H14N2OS
2-(4-Fluoro-benzylsulfanyl)-6-phenyl-pyrimidin-4-ol chemical structure, C17H13FN2OS, CAS 602290-76-6
2-(4-Fluoro-benzylsulfanyl)-6-phenyl-pyrimidin-4-ol
CAS 602290-76-6C17H13FN2OS
4-Hydroxy-6-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-pyrimidinecarbonitrile chemical structure, C19H12F3N3OS, CAS 303985-06-0
4-Hydroxy-6-phenyl-2-{[3-(trifluoromethyl)benzyl]sulfanyl}-5-pyrimidinecarbonitrile
CAS 303985-06-0C19H12F3N3OS
2-(Benzylsulfanyl)-4-hydroxy-6-(4-methylphenyl)-5-pyrimidinecarbonitrile chemical structure, C19H15N3OS, CAS 131890-33-0
2-(Benzylsulfanyl)-4-hydroxy-6-(4-methylphenyl)-5-pyrimidinecarbonitrile
CAS 131890-33-0C19H15N3OS
4-Hydroxy-2-[(4-methylbenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile chemical structure, C19H15N3OS, CAS 860649-61-2
4-Hydroxy-2-[(4-methylbenzyl)sulfanyl]-6-phenyl-5-pyrimidinecarbonitrile
CAS 860649-61-2C19H15N3OS
2-[(4-Bromobenzyl)sulfanyl]-4-hydroxy-6-(4-methylphenyl)pyrimidine-5-carbonitrile chemical structure, C19H14BrN3OS, CAS 669747-32-4
2-[(4-Bromobenzyl)sulfanyl]-4-hydroxy-6-(4-methylphenyl)pyrimidine-5-carbonitrile
CAS 669747-32-4C19H14BrN3OS
2-[(2,6-Dichlorobenzyl)sulfanyl]-4-hydroxy-6-phenyl-5-pyrimidinecarbonitrile chemical structure, C18H11Cl2N3OS, CAS 478261-70-0
2-[(2,6-Dichlorobenzyl)sulfanyl]-4-hydroxy-6-phenyl-5-pyrimidinecarbonitrile
CAS 478261-70-0C18H11Cl2N3OS
2-((3,4-Dichlorobenzyl)thio)-6-phenylpyrimidin-4(3H)-one chemical structure, C17H12Cl2N2OS, CAS 677306-24-0
2-((3,4-Dichlorobenzyl)thio)-6-phenylpyrimidin-4(3H)-one
CAS 677306-24-0C17H12Cl2N2OS
2-((4-Methylbenzyl)thio)-6-phenylpyrimidin-4(3H)-one chemical structure, C18H16N2OS, CAS 922629-49-0
2-((4-Methylbenzyl)thio)-6-phenylpyrimidin-4(3H)-one
CAS 922629-49-0C18H16N2OS
2-((3,5-Dimethoxybenzyl)thio)-6-phenylpyrimidin-4(3H)-one chemical structure, C19H18N2O3S, CAS 899965-67-4
2-((3,5-Dimethoxybenzyl)thio)-6-phenylpyrimidin-4(3H)-one
CAS 899965-67-4C19H18N2O3S
Methyl 4-{[(4-hydroxy-6-phenyl-2-pyrimidinyl)sulfanyl]methyl}benzoate chemical structure, C19H16N2O3S, CAS 922629-61-6
Methyl 4-{[(4-hydroxy-6-phenyl-2-pyrimidinyl)sulfanyl]methyl}benzoate
CAS 922629-61-6C19H16N2O3S
6-Phenyl-2-((3-(trifluoromethyl)benzyl)thio)pyrimidin-4(3H)-one chemical structure, C18H13F3N2OS, CAS 922800-86-0
6-Phenyl-2-((3-(trifluoromethyl)benzyl)thio)pyrimidin-4(3H)-one
CAS 922800-86-0C18H13F3N2OS
2-((3-Chlorobenzyl)thio)-6-phenylpyrimidin-4(3H)-one chemical structure, C17H13ClN2OS, CAS 922629-69-4
2-((3-Chlorobenzyl)thio)-6-phenylpyrimidin-4(3H)-one
CAS 922629-69-4C17H13ClN2OS
6-Phenyl-2-((1-phenylethyl)thio)pyrimidin-4(3H)-one chemical structure, C18H16N2OS, CAS 941921-38-6
6-Phenyl-2-((1-phenylethyl)thio)pyrimidin-4(3H)-one
CAS 941921-38-6C18H16N2OS
2-[(4-Chlorophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile chemical structure, C18H12ClN3OS, CAS 892352-91-9
2-[(4-Chlorophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile
CAS 892352-91-9C18H12ClN3OS
2-[[(2,3-Difluorophenyl)methyl]thio]-1,6-dihydro-4-(4-methoxy-3-methylphenyl)-6-oxo-5-pyrimidinecarbonitrile chemical structure, C20H15F2N3O2S, CAS 1029521-31-0
2-[[(2,3-Difluorophenyl)methyl]thio]-1,6-dihydro-4-(4-methoxy-3-methylphenyl)-6-oxo-5-pyrimidinecarbonitrile
CAS 1029521-31-0C20H15F2N3O2S
Bet-IN-8 chemical structure, C22H21N3O4S, CAS 2769893-19-6
Bet-IN-8
CAS 2769893-19-6C22H21N3O4S