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Murcko scaffold

Ring system with 4 rings and 27 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
5
With full pages
3
Scaffold SMILES

O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccccc2)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(Nc1ccncc1)C(=O)c1cn(Cc2ccccc2)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 5 of 5 chemicals

Indibulin chemical structure, C22H16ClN3O2, CAS 204205-90-3
Indibulin
CAS 204205-90-3C22H16ClN3O2
Awd 12-281 chemical structure, C22H14Cl2FN3O3, CAS 257892-33-4
Awd 12-281
CAS 257892-33-4C22H14Cl2FN3O3
1H-Indole-3-acetamide, N-(3,5-dichloro-4-pyridinyl)-5-fluoro-1-((4-fluorophenyl)methyl)-alpha-oxo- chemical structure, C22H13Cl2F2N3O2, CAS 444659-44-3
1H-Indole-3-acetamide, N-(3,5-dichloro-4-pyridinyl)-5-fluoro-1-((4-fluorophenyl)methyl)-alpha-oxo-
CAS 444659-44-3C22H13Cl2F2N3O2
Sodium 3-[2-[(3,5-dichloro-4-pyridinyl)amino]-2-oxoacetyl]-1-[(4-fluorophenyl)methyl]indol-5-olate chemical structure, C22H13Cl2FN3NaO3, CAS 247584-21-0
Sodium 3-[2-[(3,5-dichloro-4-pyridinyl)amino]-2-oxoacetyl]-1-[(4-fluorophenyl)methyl]indol-5-olate
CAS 247584-21-0C22H13Cl2FN3NaO3
MM-433593 chemical structure, C25H22ClN3O3, CAS 1006604-91-6
MM-433593
CAS 1006604-91-6C25H22ClN3O3