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Murcko scaffold

Ring system with 2 rings and 12 atoms

8 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
12
Chemicals
8
With full pages
4
Scaffold SMILES

C1=CC(c2ccncc2)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(c2ccncc2)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 8 of 8 chemicals

Pan-W-5 chemical structure, C19H25IN2O4, CAS 53219-30-0
Pan-W-5
CAS 53219-30-0C19H25IN2O4
Diethyl 1,2,6-trimethyl-1,4-dihydro-4,4'-bipyridine-3,5-dicarboxylate chemical structure, C19H24N2O4, CAS 346716-74-3
Diethyl 1,2,6-trimethyl-1,4-dihydro-4,4'-bipyridine-3,5-dicarboxylate
CAS 346716-74-3C19H24N2O4
RefChem:357304 chemical structure, C18H22N2O4, CAS 21197-70-6
RefChem:357304
CAS 21197-70-6C18H22N2O4
Ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate chemical structure, C17H18N4O3S, CAS 111853-35-1
Ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate
CAS 111853-35-1C17H18N4O3S
Dimethyl 1,2,6-trimethyl-4-pyridin-4-yl-4H-pyridine-3,5-dicarboxylate chemical structure, C17H20N2O4, CAS 5971-85-7
Dimethyl 1,2,6-trimethyl-4-pyridin-4-yl-4H-pyridine-3,5-dicarboxylate
CAS 5971-85-7C17H20N2O4
(4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl- chemical structure, C14H13N3OS, CAS 116736-42-6
(4,4'-Bipyridine)-3-carbonitrile, 1,4-dihydro-5-acetyl-2-mercapto-6-methyl-
CAS 116736-42-6C14H13N3OS
2,6-Dimethyl-4-(4-pyridyl)-1,4-dihydropyridine-3,5-dicarbonitrile chemical structure, C14H12N4, CAS 64089-25-4
2,6-Dimethyl-4-(4-pyridyl)-1,4-dihydropyridine-3,5-dicarbonitrile
CAS 64089-25-4C14H12N4
1-Methyl-4-(1-methyl-1,4-dihydropyridin-1-ium-4-yl)pyridin-1-ium dichloride chemical structure, C12H16Cl2N2, CAS 79028-21-0
1-Methyl-4-(1-methyl-1,4-dihydropyridin-1-ium-4-yl)pyridin-1-ium dichloride
CAS 79028-21-0C12H16Cl2N2