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Murcko scaffold

Ring system with 3 rings and 20 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
6
With full pages
3
Scaffold SMILES

C1=CC(c2ccc(OCc3ccccc3)cc2)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(c2ccc(OCc3ccccc3)cc2)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 6 of 6 chemicals

3,5-Dimethyl 4-[4-(benzyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C24H25NO5, CAS 182678-66-6
3,5-Dimethyl 4-[4-(benzyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS 182678-66-6C24H25NO5
Diethyl 4-[4-(benzyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C26H29NO5, CAS 330645-26-6
Diethyl 4-[4-(benzyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS 330645-26-6C26H29NO5
Dimethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C25H27NO6, CAS 401821-96-3
Dimethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS 401821-96-3C25H27NO6
Dimethyl 4-(4-(benzyloxy)phenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C25H27NO5, CAS 312623-11-3
Dimethyl 4-(4-(benzyloxy)phenyl)-1,2,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS 312623-11-3C25H27NO5
4-[4-(Benzyloxy)phenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile chemical structure, C22H19N3O, CAS 712301-56-9
4-[4-(Benzyloxy)phenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
CAS 712301-56-9C22H19N3O
Diprop-2-en-1-yl 4-[4-(benzyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate chemical structure, C28H29NO5, CAS 6615-16-3
Diprop-2-en-1-yl 4-[4-(benzyloxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS 6615-16-3C28H29NO5