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Murcko scaffold

Ring system with 3 rings and 20 atoms

16 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
16
With full pages
4
Scaffold SMILES

O=C(Nc1ccccc1)C1=CNC=CC1c1cccs1

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(Nc1ccccc1)C1=CNC=CC1c1cccs1

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 16 of 16 chemicals

2-{[3-Cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid chemical structure, C20H17N3O3S2, CAS 201273-71-4
2-{[3-Cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}acetic acid
CAS 201273-71-4C20H17N3O3S2
5-Cyano-6-ethylsulfanyl-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide chemical structure, C20H19N3OS2, CAS 201273-74-7
5-Cyano-6-ethylsulfanyl-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CAS 201273-74-7C20H19N3OS2
5-Cyano-2-methyl-6-methylsulfanyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide chemical structure, C19H17N3OS2, CAS 201273-76-9
5-Cyano-2-methyl-6-methylsulfanyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CAS 201273-76-9C19H17N3OS2
5-Cyano-2-methyl-N-phenyl-6-propylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide chemical structure, C21H21N3OS2, CAS 201273-75-8
5-Cyano-2-methyl-N-phenyl-6-propylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CAS 201273-75-8C21H21N3OS2
6-Carbamoylmethylsulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydro-pyridine- chemical structure, C20H18N4O2S2, CAS 201273-83-8
6-Carbamoylmethylsulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydro-pyridine-
CAS 201273-83-8C20H18N4O2S2
5-Cyano-6-(hexylsulfanyl)-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide chemical structure, C24H27N3OS2, CAS 201273-73-6
5-Cyano-6-(hexylsulfanyl)-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
CAS 201273-73-6C24H27N3OS2
5-Cyano-2-methyl-N-phenyl-6-prop-2-enylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide chemical structure, C21H19N3OS2, CAS 201273-69-0
5-Cyano-2-methyl-N-phenyl-6-prop-2-enylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CAS 201273-69-0C21H19N3OS2
Methyl {[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate chemical structure, C21H19N3O3S2, CAS 201273-80-5
Methyl {[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
CAS 201273-80-5C21H19N3O3S2
5-Cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide chemical structure, C20H19N3OS2, CAS 277756-65-7
5-Cyano-2-methyl-N-(2-methylphenyl)-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CAS 277756-65-7C20H19N3OS2
Ethyl ({3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl}sulfanyl)acetate chemical structure, C23H23N3O3S2, CAS 327168-32-1
Ethyl ({3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl}sulfanyl)acetate
CAS 327168-32-1C23H23N3O3S2
5-Cyano-6-ethylsulfanyl-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide chemical structure, C21H21N3OS2, CAS 332162-33-1
5-Cyano-6-ethylsulfanyl-2-methyl-N-(2-methylphenyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CAS 332162-33-1C21H21N3OS2
6-[(Carbamoylmethyl)sulfanyl]-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide chemical structure, C21H20N4O2S2, CAS 277756-55-5
6-[(Carbamoylmethyl)sulfanyl]-5-cyano-2-methyl-N-(2-methylphenyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
CAS 277756-55-5C21H20N4O2S2
Methyl ({3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl}sulfanyl)acetate chemical structure, C22H21N3O3S2, CAS 277756-63-5
Methyl ({3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl}sulfanyl)acetate
CAS 277756-63-5C22H21N3O3S2
5-Cyano-6-ethylsulfanyl-N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide chemical structure, C21H21N3O2S2, CAS 207003-95-0
5-Cyano-6-ethylsulfanyl-N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CAS 207003-95-0C21H21N3O2S2
6-Butylsulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide chemical structure, C22H23N3OS2, CAS 375352-05-9
6-Butylsulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
CAS 375352-05-9C22H23N3OS2
Butyl 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetate chemical structure, C24H25N3O3S2, CAS 683793-93-3
Butyl 2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-4-thiophen-2-yl-1,4-dihydropyridin-2-yl]sulfanyl]acetate
CAS 683793-93-3C24H25N3O3S2