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Murcko scaffold

Ring system with 2 rings and 12 atoms

670 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
12
Chemicals
670
With full pages
155
Scaffold SMILES

C1=CC(c2ccccc2)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(c2ccccc2)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 48 of 670 chemicals

Amlodipine chemical structure, C20H25ClN2O5, CAS 88150-42-9
Amlodipine
CAS 88150-42-9C20H25ClN2O5
Aranidipine chemical structure, C19H20N2O7, CAS 86780-90-7
Aranidipine
CAS 86780-90-7C19H20N2O7
Methyl 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-3-pyridinecarboxylate chemical structure, C16H15F3N2O4, CAS 71145-03-4
Methyl 1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-3-pyridinecarboxylate
CAS 71145-03-4C16H15F3N2O4
Felodipine chemical structure, C18H19Cl2NO4, CAS 72509-76-3
Felodipine
CAS 72509-76-3C18H19Cl2NO4
Nifedipine chemical structure, C17H18N2O6, CAS 21829-25-4
Nifedipine
CAS 21829-25-4C17H18N2O6
Nilvadipine chemical structure, C19H19N3O6, CAS 75530-68-6
Nilvadipine
CAS 75530-68-6C19H19N3O6
Nimodipine chemical structure, C21H26N2O7, CAS 66085-59-4
Nimodipine
CAS 66085-59-4C21H26N2O7
Nisoldipine chemical structure, C20H24N2O6, CAS 63675-72-9
Nisoldipine
CAS 63675-72-9C20H24N2O6
Nitrendipine chemical structure, C18H20N2O6, CAS 39562-70-4
Nitrendipine
CAS 39562-70-4C18H20N2O6
Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C19H23NO4, CAS 1165-06-6
Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS 1165-06-6C19H23NO4
Lemildipine chemical structure, C20H22Cl2N2O6, CAS 94739-29-4
Lemildipine
CAS 94739-29-4C20H22Cl2N2O6
Riodipine chemical structure, C18H19F2NO5, CAS 71653-63-9
Riodipine
CAS 71653-63-9C18H19F2NO5
2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl- chemical structure, C17H19NO2, CAS 20970-67-6
2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl-
CAS 20970-67-6C17H19NO2
Diethyl 4-(4,5-dimethoxy-2-nitrophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate chemical structure, C21H26N2O8, CAS 21203-88-3
Diethyl 4-(4,5-dimethoxy-2-nitrophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
CAS 21203-88-3C21H26N2O8
m-Nifedipine chemical structure, C17H18N2O6, CAS 21881-77-6
m-Nifedipine
CAS 21881-77-6C17H18N2O6
Niludipine chemical structure, C25H34N2O8, CAS 22609-73-0
Niludipine
CAS 22609-73-0C25H34N2O8
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(p-methoxyphenyl)-2,6-dimethyl-, diethyl ester chemical structure, C20H25NO5, CAS 34014-60-3
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(p-methoxyphenyl)-2,6-dimethyl-, diethyl ester
CAS 34014-60-3C20H25NO5
CD 349 chemical structure, C21H24N4O12, CAS 88594-08-5
CD 349
CAS 88594-08-5C21H24N4O12
4-(2,3-Dichlorophenyl)-3-(ethoxycarbonyl)-2-((2-hydroxyethoxy)methyl)-5-(methoxycarbonyl)-6-methyl-1,4-dihydropyridine chemical structure, C20H23Cl2NO6, CAS 101411-53-4
4-(2,3-Dichlorophenyl)-3-(ethoxycarbonyl)-2-((2-hydroxyethoxy)methyl)-5-(methoxycarbonyl)-6-methyl-1,4-dihydropyridine
CAS 101411-53-4C20H23Cl2NO6
Npk 1868 chemical structure, C18H18Cl2N2O6, CAS 94739-57-8
Npk 1868
CAS 94739-57-8C18H18Cl2N2O6
Npk 1867 chemical structure, C19H20Cl2N2O6, CAS 94739-62-5
Npk 1867
CAS 94739-62-5C19H20Cl2N2O6
3-Methyl 5-(1-methylethyl) 4-(3-chloro-6-fluoro-2-(trifluoromethyl)phenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate chemical structure, C20H19ClF5NO4, CAS 95445-79-7
3-Methyl 5-(1-methylethyl) 4-(3-chloro-6-fluoro-2-(trifluoromethyl)phenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate
CAS 95445-79-7C20H19ClF5NO4
Ro 18-3981 chemical structure, C24H33N3O8S, CAS 103295-92-7
Ro 18-3981
CAS 103295-92-7C24H33N3O8S
3-(Carboxymethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate chemical structure, C18H18N2O8, CAS 104305-95-5
3-(Carboxymethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
CAS 104305-95-5C18H18N2O8