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Murcko scaffold

Ring system with 2 rings and 11 atoms

25 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
11
Chemicals
25
With full pages
12
Scaffold SMILES

C1=CC(c2cccs2)C=CN1

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 C1=CC(c2cccs2)C=CN1

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 25 of 25 chemicals

3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(2-thienyl)-3,5-pyridinedicarboxylate chemical structure, C17H21NO4S, CAS 23118-58-3
3,5-Diethyl 1,4-dihydro-2,6-dimethyl-4-(2-thienyl)-3,5-pyridinedicarboxylate
CAS 23118-58-3C17H21NO4S
Diethyl 4-(5-(hydroxy(oxido)amino)-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C17H20N2O6S, CAS 43114-46-1
Diethyl 4-(5-(hydroxy(oxido)amino)-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CAS 43114-46-1C17H20N2O6S
Dimethyl 4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C13H13NO4S, CAS 355827-08-6
Dimethyl 4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 355827-08-6C13H13NO4S
3,5-Dimethyl 2,6-dimethyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C15H17NO4S, CAS 162229-14-3
3,5-Dimethyl 2,6-dimethyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 162229-14-3C15H17NO4S
Diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C19H25NO4S, CAS 347320-27-8
Diethyl 1,2,6-trimethyl-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 347320-27-8C19H25NO4S
Ethyl 5-cyano-2-methyl-6-prop-2-ynylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate chemical structure, C17H16N2O2S2, CAS 353464-13-8
Ethyl 5-cyano-2-methyl-6-prop-2-ynylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
CAS 353464-13-8C17H16N2O2S2
Methyl 5-cyano-6-ethylsulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate chemical structure, C15H16N2O2S2, CAS 445383-98-2
Methyl 5-cyano-6-ethylsulfanyl-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
CAS 445383-98-2C15H16N2O2S2
Dimethyl 1-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C14H15NO4S, CAS 347325-31-9
Dimethyl 1-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 347325-31-9C14H15NO4S
Dimethyl 2,6-dimethyl-4-(3-ME-2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C16H19NO4S, CAS 158778-13-3
Dimethyl 2,6-dimethyl-4-(3-ME-2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate
CAS 158778-13-3C16H19NO4S
3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine chemical structure, C15H17NO2S, CAS 173260-84-9
3,5-Diacetyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine
CAS 173260-84-9C15H17NO2S
Dimethyl 1-isopropyl-4-(2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C16H19NO4S, CAS 423138-99-2
Dimethyl 1-isopropyl-4-(2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate
CAS 423138-99-2C16H19NO4S
Diethyl 1-(propan-2-yl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C18H23NO4S, CAS 423141-01-9
Diethyl 1-(propan-2-yl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 423141-01-9C18H23NO4S
2,6-Dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide chemical structure, C13H15N3O2S, CAS 347321-68-0
2,6-Dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
CAS 347321-68-0C13H15N3O2S
Diisopropyl 2,6-dimethyl-4-(2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C19H25NO4S, CAS 324577-07-3
Diisopropyl 2,6-dimethyl-4-(2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate
CAS 324577-07-3C19H25NO4S
Dimethyl 4-(5-chlorothiophen-2-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C16H18ClNO5S, CAS 442654-59-3
Dimethyl 4-(5-chlorothiophen-2-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 442654-59-3C16H18ClNO5S
Dimethyl 1-(2-methoxyethyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C16H19NO5S, CAS 421582-44-7
Dimethyl 1-(2-methoxyethyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS 421582-44-7C16H19NO5S
Diallyl 2,6-dimethyl-4-(2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C19H21NO4S, CAS 34082-25-2
Diallyl 2,6-dimethyl-4-(2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate
CAS 34082-25-2C19H21NO4S
Ethyl 5-cyano-6-({2-[(ethoxycarbonyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate chemical structure, C19H21N3O5S2, CAS 497242-35-0
Ethyl 5-cyano-6-({2-[(ethoxycarbonyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
CAS 497242-35-0C19H21N3O5S2
Dimethyl 4-(5-bromothiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C15H16BrNO4S, CAS 162229-16-5
Dimethyl 4-(5-bromothiophen-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS 162229-16-5C15H16BrNO4S
Ethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate chemical structure, C20H25N3O3S2, CAS 353463-99-7
Ethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
CAS 353463-99-7C20H25N3O3S2
Isopropyl 5-cyano-2-methyl-6-sulfanyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate chemical structure, C15H16N2O2S2, CAS 305383-72-6
Isopropyl 5-cyano-2-methyl-6-sulfanyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
CAS 305383-72-6C15H16N2O2S2
Allyl 6-((2-amino-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate chemical structure, C17H17N3O3S2, CAS 369395-25-5
Allyl 6-((2-amino-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
CAS 369395-25-5C17H17N3O3S2
Allyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate chemical structure, C19H20N2O4S2, CAS 442556-69-6
Allyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
CAS 442556-69-6C19H20N2O4S2
Ethyl 5-cyano-6-methyl-2-(prop-2-yn-1-ylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate chemical structure, C17H16N2O2S2, CAS 362498-92-8
Ethyl 5-cyano-6-methyl-2-(prop-2-yn-1-ylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
CAS 362498-92-8C17H16N2O2S2