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Murcko scaffold

Ring system with 2 rings and 13 atoms

50 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
13
Chemicals
50
With full pages
5
Scaffold SMILES

S=c1cc(-c2ccccc2)cc[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 scaffold
Murcko scaffold S=c1cc(-c2ccccc2)cc[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 48 of 50 chemicals

4-(4-(Dimethylamino)phenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile chemical structure, C15H15N3S, CAS 312513-62-5
4-(4-(Dimethylamino)phenyl)-6-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
CAS 312513-62-5C15H15N3S
4-(4-Chlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile chemical structure, C13H9ClN2S, CAS 94639-14-2
4-(4-Chlorophenyl)-6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
CAS 94639-14-2C13H9ClN2S
6-Methyl-4-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile chemical structure, C13H10N2S, CAS 78564-23-5
6-Methyl-4-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile
CAS 78564-23-5C13H10N2S
2-Amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile chemical structure, C13H8N4S, CAS 119022-76-3
2-Amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
CAS 119022-76-3C13H8N4S
Ethyl 5-cyano-2-methyl-4-phenyl-6-sulfanylidene-1H-pyridine-3-carboxylate chemical structure, C16H14N2O2S, CAS 5278-15-9
Ethyl 5-cyano-2-methyl-4-phenyl-6-sulfanylidene-1H-pyridine-3-carboxylate
CAS 5278-15-9C16H14N2O2S
4-(4-Fluorophenyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile chemical structure, C13H6F4N2S, CAS 438220-73-6
4-(4-Fluorophenyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile
CAS 438220-73-6C13H6F4N2S
6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile chemical structure, C13H8N4OS, CAS 221178-83-2
6-Amino-4-(4-hydroxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
CAS 221178-83-2C13H8N4OS
6-Amino-4-(3,4-dimethoxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile chemical structure, C15H12N4O2S, CAS 333782-81-3
6-Amino-4-(3,4-dimethoxyphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
CAS 333782-81-3C15H12N4O2S
2-Amino-4-(4-butoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile chemical structure, C17H16N4OS, CAS 214046-05-6
2-Amino-4-(4-butoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
CAS 214046-05-6C17H16N4OS
Ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate chemical structure, C17H16N2O3S, CAS 97651-29-1
Ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-thioxo-1,6-dihydro-3-pyridinecarboxylate
CAS 97651-29-1C17H16N2O3S
6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile chemical structure, C13H8F2N2S, CAS 438217-90-4
6-(Difluoromethyl)-1,2-dihydro-4-phenyl-2-thioxo-3-pyridinecarbonitrile
CAS 438217-90-4C13H8F2N2S
2-Mercapto-4-phenyl-6-(trifluoromethyl)nicotinonitrile chemical structure, C13H7F3N2S, CAS 368432-81-9
2-Mercapto-4-phenyl-6-(trifluoromethyl)nicotinonitrile
CAS 368432-81-9C13H7F3N2S
4-(4-Chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile chemical structure, C13H6ClF3N2S, CAS 438218-95-2
4-(4-Chlorophenyl)-2-thioxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CAS 438218-95-2C13H6ClF3N2S
4-(2-Butyramido-3,5-dicyano-6-mercaptopyridin-4-yl)phenyl butyrate chemical structure, C21H20N4O3S, CAS 402954-38-5
4-(2-Butyramido-3,5-dicyano-6-mercaptopyridin-4-yl)phenyl butyrate
CAS 402954-38-5C21H20N4O3S
2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile chemical structure, C14H9F3N2OS, CAS 438221-56-8
2-Mercapto-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile
CAS 438221-56-8C14H9F3N2OS
6-(Difluoromethyl)-2-thioxo-4-(p-tolyl)-1,2-dihydropyridine-3-carbonitrile chemical structure, C14H10F2N2S, CAS 832737-93-6
6-(Difluoromethyl)-2-thioxo-4-(p-tolyl)-1,2-dihydropyridine-3-carbonitrile
CAS 832737-93-6C14H10F2N2S
4-(3,4-Dimethylphenyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile chemical structure, C15H11F3N2S, CAS 832739-56-7
4-(3,4-Dimethylphenyl)-2-mercapto-6-(trifluoromethyl)nicotinonitrile
CAS 832739-56-7C15H11F3N2S
5-Acetyl-6-methyl-2-thioxo-4-(p-methoxyphenyl)-1,2-dihydro-3-pyridinecarbonitrile chemical structure, C16H14N2O2S, CAS 121104-38-9
5-Acetyl-6-methyl-2-thioxo-4-(p-methoxyphenyl)-1,2-dihydro-3-pyridinecarbonitrile
CAS 121104-38-9C16H14N2O2S
3-Pyridinecarbonitrile,4-(3-fluorophenyl)-1,2-dihydro-5,6-dimethyl-2-thioxo- chemical structure, C14H11FN2S, CAS 94638-85-4
3-Pyridinecarbonitrile,4-(3-fluorophenyl)-1,2-dihydro-5,6-dimethyl-2-thioxo-
CAS 94638-85-4C14H11FN2S
3-Pyridinecarbonitrile,4-(4-fluorophenyl)-1,2-dihydro-5,6-dimethyl-2-thioxo- chemical structure, C14H11FN2S, CAS 94638-86-5
3-Pyridinecarbonitrile,4-(4-fluorophenyl)-1,2-dihydro-5,6-dimethyl-2-thioxo-
CAS 94638-86-5C14H11FN2S
Dcckluheqhghmu-uhfffaoysa- chemical structure, C14H12N2S, CAS 94638-89-8
Dcckluheqhghmu-uhfffaoysa-
CAS 94638-89-8C14H12N2S
6-(Difluoromethyl)-2-mercapto-4-(2-methoxyphenyl)nicotinonitrile chemical structure, C14H10F2N2OS, CAS 937600-69-6
6-(Difluoromethyl)-2-mercapto-4-(2-methoxyphenyl)nicotinonitrile
CAS 937600-69-6C14H10F2N2OS
2-Mercapto-4-(3-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile chemical structure, C14H9F3N2OS, CAS 861414-12-2
2-Mercapto-4-(3-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile
CAS 861414-12-2C14H9F3N2OS
2-Amino-4-[4-(2-hydroxyethoxy)phenyl]-6-sulfanylpyridine-3,5-dicarbonitrile chemical structure, C15H12N4O2S, CAS 544417-72-3
2-Amino-4-[4-(2-hydroxyethoxy)phenyl]-6-sulfanylpyridine-3,5-dicarbonitrile
CAS 544417-72-3C15H12N4O2S