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Murcko scaffold

Ring system with 3 rings and 23 atoms

50 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
50
With full pages
1
Scaffold SMILES

O=C(CSC1=CC(c2ccccc2)C=CN1)Nc1ccccc1

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=C(CSC1=CC(c2ccccc2)C=CN1)Nc1ccccc1

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 50 chemicals

2-[[5-Acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide chemical structure, C23H19BrClN3O2S, CAS 312508-03-5
2-[[5-Acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-bromophenyl)acetamide
CAS 312508-03-5C23H19BrClN3O2S
2-{[5-Acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-phenylacetamide chemical structure, C23H20ClN3O2S, CAS 312507-94-1
2-{[5-Acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-phenylacetamide
CAS 312507-94-1C23H20ClN3O2S
Methyl 4-(2-chlorophenyl)-5-cyano-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate chemical structure, C24H22ClN3O4S, CAS 370846-02-9
Methyl 4-(2-chlorophenyl)-5-cyano-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
CAS 370846-02-9C24H22ClN3O4S
Methyl 5-cyano-6-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate chemical structure, C27H29N3O4S, CAS 442557-60-0
Methyl 5-cyano-6-({[(3,4-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-(2-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
CAS 442557-60-0C27H29N3O4S
Methyl 5-cyano-4-(2-ethoxyphenyl)-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate chemical structure, C26H27N3O4S, CAS 442557-63-3
Methyl 5-cyano-4-(2-ethoxyphenyl)-2-methyl-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
CAS 442557-63-3C26H27N3O4S
Methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-((2-oxo-2-(phenylamino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate chemical structure, C23H20FN3O3S, CAS 684238-11-7
Methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-((2-oxo-2-(phenylamino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate
CAS 684238-11-7C23H20FN3O3S
Methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-((2-oxo-2-(o-tolylamino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate chemical structure, C24H22FN3O3S, CAS 442557-58-6
Methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-((2-oxo-2-(o-tolylamino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate
CAS 442557-58-6C24H22FN3O3S
2-[[5-Acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide chemical structure, C25H24ClN3O2S, CAS 701223-05-4
2-[[5-Acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CAS 701223-05-4C25H24ClN3O2S
Methyl 5-cyano-4-(2-fluorophenyl)-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate chemical structure, C24H22FN3O4S, CAS 701226-67-7
Methyl 5-cyano-4-(2-fluorophenyl)-6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate
CAS 701226-67-7C24H22FN3O4S
Methyl 2-(2-{[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetamido)benzoate chemical structure, C25H22ClN3O4S, CAS 702648-55-3
Methyl 2-(2-{[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetamido)benzoate
CAS 702648-55-3C25H22ClN3O4S
2-[[5-Acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide chemical structure, C24H22ClN3O3S, CAS 701237-85-6
2-[[5-Acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CAS 701237-85-6C24H22ClN3O3S
2-{[5-Acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide chemical structure, C25H24ClN3O3S, CAS 376370-61-5
2-{[5-Acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
CAS 376370-61-5C25H24ClN3O3S
Allyl 6-((2-((5-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylate chemical structure, C27H26ClN3O3S, CAS 442556-35-6
Allyl 6-((2-((5-chloro-2-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylate
CAS 442556-35-6C27H26ClN3O3S
2-{[5-Acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide chemical structure, C25H24ClN3O2S, CAS 309732-29-4
2-{[5-Acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
CAS 309732-29-4C25H24ClN3O2S
Methyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate chemical structure, C25H24ClN3O3S, CAS 383893-60-5
Methyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2-ethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
CAS 383893-60-5C25H24ClN3O3S
Methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-((2-oxo-2-(m-tolylamino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate chemical structure, C24H22FN3O3S, CAS 442557-65-5
Methyl 5-cyano-4-(2-fluorophenyl)-2-methyl-6-((2-oxo-2-(m-tolylamino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate
CAS 442557-65-5C24H22FN3O3S
Allyl 5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate chemical structure, C28H29N3O5S, CAS 442556-41-4
Allyl 5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
CAS 442556-41-4C28H29N3O5S
Methyl 5-cyano-4-(2-ethoxyphenyl)-2-methyl-6-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate chemical structure, C26H27N3O4S, CAS 442557-89-3
Methyl 5-cyano-4-(2-ethoxyphenyl)-2-methyl-6-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
CAS 442557-89-3C26H27N3O4S
Prop-2-enyl 5-cyano-6-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate chemical structure, C28H29N3O4S, CAS 442556-21-0
Prop-2-enyl 5-cyano-6-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
CAS 442556-21-0C28H29N3O4S
Allyl 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate chemical structure, C26H24ClN3O5S, CAS 442556-40-3
Allyl 6-((2-((3-chlorophenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
CAS 442556-40-3C26H24ClN3O5S
Methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate chemical structure, C25H22ClN3O4S, CAS 370849-33-5
Methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
CAS 370849-33-5C25H22ClN3O4S
Methyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate chemical structure, C23H19Cl2N3O3S, CAS 370856-32-9
Methyl 6-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
CAS 370856-32-9C23H19Cl2N3O3S
Allyl 5-cyano-2-methyl-6-((2-oxo-2-(o-tolylamino)ethyl)thio)-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylate chemical structure, C27H27N3O3S, CAS 442556-22-1
Allyl 5-cyano-2-methyl-6-((2-oxo-2-(o-tolylamino)ethyl)thio)-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylate
CAS 442556-22-1C27H27N3O3S
Allyl 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate chemical structure, C28H29N3O5S, CAS 442556-43-6
Allyl 5-cyano-6-((2-((2,5-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
CAS 442556-43-6C28H29N3O5S