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Murcko scaffold

Ring system with 3 rings and 22 atoms

17 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 22
Chemicals: 17
With full pages: 3

Scaffold SMILES

O=C(CSc1cc(-c2ccccc2)ccn1)c1ccccc1

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(CSc1cc(-c2ccccc2)ccn1)c1ccccc1

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 17 of 17 chemicals

2-Amino-4-(4-chlorophenyl)-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile chemical structure, C21H12ClFN4OS, CAS 333960-34-2

2-Amino-4-(4-chlorophenyl)-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile

CAS 333960-34-2C₂₁H₁₂ClFN₄OS

2-Amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile chemical structure, C21H13BrN4O2S, CAS 221178-94-5

2-Amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

CAS 221178-94-5C₂₁H₁₃BrN₄O₂S

2-Amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-phenylpyridine-3,5-dicarbonitrile chemical structure, C21H13BrN4OS, CAS 189278-28-2

2-Amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-phenylpyridine-3,5-dicarbonitrile

CAS 189278-28-2C₂₁H₁₃BrN₄OS

2-Amino-4-(4-hydroxyphenyl)-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile chemical structure, C22H16N4O2S, CAS 5212-03-3

2-Amino-4-(4-hydroxyphenyl)-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile

CAS 5212-03-3C₂₂H₁₆N₄O₂S

2-Amino-4-(4-ethoxyphenyl)-6-((2-oxo-2-(p-tolyl)ethyl)thio)pyridine-3,5-dicarbonitrile chemical structure, C24H20N4O2S, CAS 361477-89-6

2-Amino-4-(4-ethoxyphenyl)-6-((2-oxo-2-(p-tolyl)ethyl)thio)pyridine-3,5-dicarbonitrile

CAS 361477-89-6C₂₄H₂₀N₄O₂S

2-Amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile chemical structure, C23H17BrN4O2S, CAS 361477-91-0

2-Amino-6-((2-(4-bromophenyl)-2-oxoethyl)thio)-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile

CAS 361477-91-0C₂₃H₁₇BrN₄O₂S

2-Amino-4-(4-hydroxyphenyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3,5-dicarbonitrile chemical structure, C21H14N4O2S, CAS 333959-12-9

2-Amino-4-(4-hydroxyphenyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3,5-dicarbonitrile

CAS 333959-12-9C₂₁H₁₄N₄O₂S

2-Amino-6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile chemical structure, C25H22N4O2S, CAS 221178-95-6

2-Amino-6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

CAS 221178-95-6C₂₅H₂₂N₄O₂S

2-Amino-4-(4-ethoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)pyridine-3,5-dicarbonitrile chemical structure, C24H20N4O3S, CAS 361477-90-9

2-Amino-4-(4-ethoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)pyridine-3,5-dicarbonitrile

CAS 361477-90-9C₂₄H₂₀N₄O₃S

2-Amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile chemical structure, C23H17ClN4O2S, CAS 361477-92-1

2-Amino-6-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(4-ethoxyphenyl)pyridine-3,5-dicarbonitrile

CAS 361477-92-1C₂₃H₁₇ClN₄O₂S

2-Amino-4-(4-ethoxyphenyl)-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile chemical structure, C23H17N5O4S, CAS 361477-93-2

2-Amino-4-(4-ethoxyphenyl)-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile

CAS 361477-93-2C₂₃H₁₇N₅O₄S

2-Amino-4-(4-ethoxyphenyl)-6-((2-oxo-2-phenylethyl)thio)pyridine-3,5-dicarbonitrile chemical structure, C23H18N4O2S, CAS 361477-88-5

2-Amino-4-(4-ethoxyphenyl)-6-((2-oxo-2-phenylethyl)thio)pyridine-3,5-dicarbonitrile

CAS 361477-88-5C₂₃H₁₈N₄O₂S

2-Amino-6-phenacylsulfanyl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile chemical structure, C24H20N4O4S, CAS 4590-95-8

2-Amino-6-phenacylsulfanyl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile

CAS 4590-95-8C₂₄H₂₀N₄O₄S

2-Amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-butoxyphenyl)pyridine-3,5-dicarbonitrile chemical structure, C25H21BrN4O2S, CAS 214046-16-9

2-Amino-6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-butoxyphenyl)pyridine-3,5-dicarbonitrile

CAS 214046-16-9C₂₅H₂₁BrN₄O₂S

RefChem:381399 chemical structure, C22H16N4O4S, CAS 337500-72-8

CAS 337500-72-8C₂₂H₁₆N₄O₄S

2-Amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile chemical structure, C21H14N4O4S, CAS 337500-87-5

2-Amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

CAS 337500-87-5C₂₁H₁₄N₄O₄S

2-Amino-6-((2-(4-fluorophenyl)-2-oxoethyl)thio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile chemical structure, C21H13FN4O2S, CAS 332045-61-1

2-Amino-6-((2-(4-fluorophenyl)-2-oxoethyl)thio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

CAS 332045-61-1C₂₁H₁₃FN₄O₂S