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Murcko scaffold

Ring system with 4 rings and 29 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
29
Chemicals
4
With full pages
1
Scaffold SMILES

O=C(Nc1ccccc1)c1ccc(N=NC2C=NN(c3ccccc3)C2=O)cc1

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(Nc1ccccc1)c1ccc(N=NC2C=NN(c3ccccc3)C2=O)cc1

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

1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-((4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)azo)-1-(4-sulfophenyl)-, trisodium salt chemical structure, C25H18N5Na3O13S3, CAS 72187-36-1
1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-((4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)azo)-1-(4-sulfophenyl)-, trisodium salt
CAS 72187-36-1C25H18N5Na3O13S3
Disodium, 4-[3-carboxy-4-[[4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate chemical structure, C26H21N5Na2O14S3, CAS 84145-46-0
Disodium, 4-[3-carboxy-4-[[4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
CAS 84145-46-0C26H21N5Na2O14S3
Ethyl 5-oxo-1-phenyl-4-((p-(phenylcarbamoyl)phenyl)azo)-2-pyrazoline-3-carboxylate chemical structure, C25H21N5O4, CAS 23622-57-3
Ethyl 5-oxo-1-phenyl-4-((p-(phenylcarbamoyl)phenyl)azo)-2-pyrazoline-3-carboxylate
CAS 23622-57-3C25H21N5O4
Sodium, hydron, 4-[[4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate chemical structure, C26H22N5NaO14S3, CAS 21728-37-0
Sodium, hydron, 4-[[4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
CAS 21728-37-0C26H22N5NaO14S3