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Murcko scaffold

Ring system with 3 rings and 17 atoms

6 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
6
With full pages
6
Scaffold SMILES

C1=CC(c2cc(-c3ccccc3)cs2)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(c2cc(-c3ccccc3)cs2)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

4-(4-(4-Fluorophenyl)-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile chemical structure, C19H14FN3S, CAS 853310-93-7
4-(4-(4-Fluorophenyl)-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile
CAS 853310-93-7C19H14FN3S
2,6-Dimethyl-4-(4-(4-methylphenyl)-2-thienyl)-1,4-dihydro-3,5-pyridinedicarbonitrile chemical structure, C20H17N3S, CAS 853311-18-9
2,6-Dimethyl-4-(4-(4-methylphenyl)-2-thienyl)-1,4-dihydro-3,5-pyridinedicarbonitrile
CAS 853311-18-9C20H17N3S
Dimethyl 4-(4-(4-fluorophenyl)-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C21H20FNO4S, CAS 853310-99-3
Dimethyl 4-(4-(4-fluorophenyl)-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CAS 853310-99-3C21H20FNO4S
Diethyl 4-(4-(4-fluorophenyl)-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C23H24FNO4S, CAS 853311-05-4
Diethyl 4-(4-(4-fluorophenyl)-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CAS 853311-05-4C23H24FNO4S
Dimethyl 2,6-dimethyl-4-(4-(4-methylphenyl)-2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C22H23NO4S, CAS 853311-30-5
Dimethyl 2,6-dimethyl-4-(4-(4-methylphenyl)-2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate
CAS 853311-30-5C22H23NO4S
Dimethyl 4-(4-(4-methoxyphenyl)-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C22H23NO5S, CAS 853313-05-0
Dimethyl 4-(4-(4-methoxyphenyl)-2-thienyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CAS 853313-05-0C22H23NO5S