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Murcko scaffold

Ring system with 3 rings and 14 atoms

25 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
14
Chemicals
25
With full pages
16
Scaffold SMILES

O=c1cccc2[nH]c3ccccc3n12

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=c1cccc2[nH]c3ccccc3n12

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 25 of 25 chemicals

2-Carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole chemical structure, C15H12N2O5, CAS 117922-47-1
2-Carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole
CAS 117922-47-1C15H12N2O5
Ethyl 1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate chemical structure, C14H12N2O3, CAS 71240-26-1
Ethyl 1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate
CAS 71240-26-1C14H12N2O3
3-Methylpyrido[1,2-a]benzimidazol-1(5H)-one chemical structure, C12H10N2O, CAS 72570-56-0
3-Methylpyrido[1,2-a]benzimidazol-1(5H)-one
CAS 72570-56-0C12H10N2O
2-(2-Hydroxyethyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile chemical structure, C15H13N3O2, CAS 166671-26-7
2-(2-Hydroxyethyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
CAS 166671-26-7C15H13N3O2
1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile chemical structure, C13H9N3O, CAS 60792-57-6
1,5-Dihydro-3-methyl-1-oxopyrido(1,2-a)benzimidazole-4-carbonitrile
CAS 60792-57-6C13H9N3O
1-Hydroxy-3-(methoxymethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile chemical structure, C14H11N3O2, CAS 309742-08-3
1-Hydroxy-3-(methoxymethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS 309742-08-3C14H11N3O2
Ethyl 3-(4-cyano-1-hydroxy-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate chemical structure, C18H17N3O3, CAS 385390-68-1
Ethyl 3-(4-cyano-1-hydroxy-3-methylpyrido[1,2-a]benzimidazol-2-yl)propanoate
CAS 385390-68-1C18H17N3O3
2-Ethyl-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile chemical structure, C15H13N3O, CAS 442567-43-3
2-Ethyl-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS 442567-43-3C15H13N3O
1-Oxo-3-(propan-2-yl)-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile chemical structure, C15H13N3O, CAS 611197-74-1
1-Oxo-3-(propan-2-yl)-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
CAS 611197-74-1C15H13N3O
1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile chemical structure, C13H6F3N3O, CAS 362602-12-8
1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS 362602-12-8C13H6F3N3O
2-Allyl-1-hydroxy-3-methylpyrido(1,2-A)benzimidazole-4-carbonitrile chemical structure, C16H13N3O, CAS 612037-53-3
2-Allyl-1-hydroxy-3-methylpyrido(1,2-A)benzimidazole-4-carbonitrile
CAS 612037-53-3C16H13N3O
3-Methyl-2-(2-methylprop-2-enyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile chemical structure, C17H15N3O, CAS 612037-85-1
3-Methyl-2-(2-methylprop-2-enyl)-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS 612037-85-1C17H15N3O
1-Hydroxy-3-methyl-benzo[4,5]imidazo[1,2-a]-pyridine-4-carboxylic acid chemical structure, C13H10N2O3, CAS 333431-97-3
1-Hydroxy-3-methyl-benzo[4,5]imidazo[1,2-a]-pyridine-4-carboxylic acid
CAS 333431-97-3C13H10N2O3
Methyl 1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carboxylate chemical structure, C14H12N2O3, CAS 327979-91-9
Methyl 1-hydroxy-3-methylpyrido[1,2-a]benzimidazole-4-carboxylate
CAS 327979-91-9C14H12N2O3
1-Oxo-3-propyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile chemical structure, C15H13N3O, CAS 611197-01-4
1-Oxo-3-propyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS 611197-01-4C15H13N3O
3-(4-Cyano-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-2-yl)propanoic acid chemical structure, C16H13N3O3, CAS 714212-16-5
3-(4-Cyano-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-2-yl)propanoic acid
CAS 714212-16-5C16H13N3O3
3-Methyl-1-oxo-2-propyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile chemical structure, C16H15N3O, CAS 848686-82-8
3-Methyl-1-oxo-2-propyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS 848686-82-8C16H15N3O
3-Methyl-2-octyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile chemical structure, C21H25N3O, CAS 384797-21-1
3-Methyl-2-octyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
CAS 384797-21-1C21H25N3O
2-[(4-Cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid chemical structure, C15H11N3O3S, CAS 680986-99-6
2-[(4-Cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylsulfanyl]acetic acid
CAS 680986-99-6C15H11N3O3S
11-Ethyl-13-oxo-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaene-10-carbonitrile chemical structure, C14H11N3O, CAS 750599-25-8
11-Ethyl-13-oxo-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaene-10-carbonitrile
CAS 750599-25-8C14H11N3O
3-Methyl-1-oxo-2-pentyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile chemical structure, C18H19N3O, CAS 611197-29-6
3-Methyl-1-oxo-2-pentyl-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
CAS 611197-29-6C18H19N3O
2-Formyl-3,5-dimethyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile chemical structure, C15H11N3O2, CAS 380348-73-2
2-Formyl-3,5-dimethyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CAS 380348-73-2C15H11N3O2
11-(Chloromethyl)-13-oxo-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaene-10-carbonitrile chemical structure, C13H8ClN3O, CAS 554438-67-4
11-(Chloromethyl)-13-oxo-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaene-10-carbonitrile
CAS 554438-67-4C13H8ClN3O
2-[({10-Cyano-13-oxo-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaen-11-yl}methyl)sulfanyl]propanoic acid chemical structure, C16H13N3O3S, CAS 568567-39-5
2-[({10-Cyano-13-oxo-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaen-11-yl}methyl)sulfanyl]propanoic acid
CAS 568567-39-5C16H13N3O3S