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Murcko scaffold

Ring system with 3 rings and 21 atoms

28 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
21
Chemicals
28
With full pages
6
Scaffold SMILES

O=C1CC(c2ccccc2)C=C(SCc2ccccc2)N1

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=C1CC(c2ccccc2)C=C(SCc2ccccc2)N1

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 28 of 28 chemicals

2-(Benzylsulfanyl)-4-(4-bromophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile chemical structure, C19H15BrN2OS, CAS 197570-00-6
2-(Benzylsulfanyl)-4-(4-bromophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
CAS 197570-00-6C19H15BrN2OS
RefChem:345369 chemical structure, C19H15ClN2OS, CAS 5312-37-8
RefChem:345369
CAS 5312-37-8C19H15ClN2OS
6-Benzylsulfanyl-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile chemical structure, C19H15ClN2OS, CAS 328069-65-4
6-Benzylsulfanyl-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CAS 328069-65-4C19H15ClN2OS
6-Benzylsulfanyl-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile chemical structure, C19H16N2O2S, CAS 264254-95-7
6-Benzylsulfanyl-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CAS 264254-95-7C19H16N2O2S
6-Benzylsulfanyl-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile chemical structure, C20H18N2O2S, CAS 332051-30-6
6-Benzylsulfanyl-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CAS 332051-30-6C20H18N2O2S
6-Benzylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile chemical structure, C20H18N2O3S, CAS 330557-73-8
6-Benzylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CAS 330557-73-8C20H18N2O3S
2-(Benzylsulfanyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile chemical structure, C21H20N2O3S, CAS 332051-80-6
2-(Benzylsulfanyl)-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
CAS 332051-80-6C21H20N2O3S
6-Benzylsulfanyl-4-(4-ethylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile chemical structure, C21H20N2OS, CAS 330557-67-0
6-Benzylsulfanyl-4-(4-ethylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CAS 330557-67-0C21H20N2OS
Methyl 6-benzylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate chemical structure, C21H17ClN2O3S, CAS 332050-88-1
Methyl 6-benzylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
CAS 332050-88-1C21H17ClN2O3S
2-(Benzylsulfanyl)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile chemical structure, C22H22N2O3S, CAS 361478-21-9
2-(Benzylsulfanyl)-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
CAS 361478-21-9C22H22N2O3S
Methyl 6-benzylsulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate chemical structure, C22H20N2O3S, CAS 384357-08-8
Methyl 6-benzylsulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
CAS 384357-08-8C22H20N2O3S
6-[(2-Chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile chemical structure, C19H14ClFN2OS, CAS 383896-55-7
6-[(2-Chlorophenyl)methylsulfanyl]-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CAS 383896-55-7C19H14ClFN2OS
2-((4-Chlorobenzyl)thio)-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile chemical structure, C20H17ClN2OS, CAS 384356-29-0
2-((4-Chlorobenzyl)thio)-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
CAS 384356-29-0C20H17ClN2OS
Methyl 6-((4-chlorobenzyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate chemical structure, C23H21ClN2O4S, CAS 370851-03-9
Methyl 6-((4-chlorobenzyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
CAS 370851-03-9C23H21ClN2O4S
Methyl 6-((2-chlorobenzyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate chemical structure, C23H21ClN2O4S, CAS 383893-86-5
Methyl 6-((2-chlorobenzyl)thio)-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
CAS 383893-86-5C23H21ClN2O4S
Ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate chemical structure, C22H18ClFN2O3S, CAS 383893-65-0
Ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
CAS 383893-65-0C22H18ClFN2O3S
6-[(2-Chlorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile chemical structure, C20H17ClN2O2S, CAS 488826-74-0
6-[(2-Chlorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CAS 488826-74-0C20H17ClN2O2S
4-(3-Bromophenyl)-6-[(2-chlorophenyl)methylsulfanyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile chemical structure, C19H14BrClN2OS, CAS 489464-87-1
4-(3-Bromophenyl)-6-[(2-chlorophenyl)methylsulfanyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CAS 489464-87-1C19H14BrClN2OS
Methyl 6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate chemical structure, C22H19ClN2O3S, CAS 500277-49-6
Methyl 6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
CAS 500277-49-6C22H19ClN2O3S
4-(3-Bromo-4-hydroxy-5-methoxyphenyl)-6-[(2-chlorophenyl)methylsulfanyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile chemical structure, C20H16BrClN2O3S, CAS 488841-58-3
4-(3-Bromo-4-hydroxy-5-methoxyphenyl)-6-[(2-chlorophenyl)methylsulfanyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CAS 488841-58-3C20H16BrClN2O3S
6-[(4-Chlorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile chemical structure, C20H17ClN2O2S, CAS 497247-49-1
6-[(4-Chlorophenyl)methylsulfanyl]-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CAS 497247-49-1C20H17ClN2O2S
6-[(2-Chlorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile chemical structure, C19H14ClFN2OS, CAS 693240-62-9
6-[(2-Chlorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CAS 693240-62-9C19H14ClFN2OS
4-(3-Bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile chemical structure, C19H14BrClN2OS, CAS 489400-06-8
4-(3-Bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
CAS 489400-06-8C19H14BrClN2OS
Methyl 5-cyano-6-[(2,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate chemical structure, C22H18Cl2N2O4S, CAS 663203-73-4
Methyl 5-cyano-6-[(2,4-dichlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
CAS 663203-73-4C22H18Cl2N2O4S