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Murcko scaffold

Ring system with 5 rings and 27 atoms

4 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
27
Chemicals
4
With full pages
1
Scaffold SMILES

O=C(c1ccc(Cn2cnc3cnccc32)cc1)c1c[nH]c2ccccc12

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 O=C(c1ccc(Cn2cnc3cnccc32)cc1)c1c[nH]c2ccccc12

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 4 of 4 chemicals

Abt 491 chemical structure, C28H23ClFN5O2, CAS 189689-94-9
Abt 491
CAS 189689-94-9C28H23ClFN5O2
ABT-491 free base chemical structure, C28H22FN5O2, CAS 170499-15-7
ABT-491 free base
CAS 170499-15-7C28H22FN5O2
1H-Indole-1-carboxamide, 4-ethynyl-3-(3-fluoro-4-((2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)methyl)benzoyl)-N-methyl- chemical structure, C27H20FN5O2, CAS 200418-08-2
1H-Indole-1-carboxamide, 4-ethynyl-3-(3-fluoro-4-((2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)methyl)benzoyl)-N-methyl-
CAS 200418-08-2C27H20FN5O2
Methyl 1-[(acetyloxy)methyl]-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate chemical structure, C28H24N4O5, CAS 170499-18-0
Methyl 1-[(acetyloxy)methyl]-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate
CAS 170499-18-0C28H24N4O5