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Murcko scaffold

Ring system with 4 rings and 21 atoms

10 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
10
With full pages
1
Scaffold SMILES

N=C1C(c2nc3ccccc3s2)=CCN1c1ccccc1

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 N=C1C(c2nc3ccccc3s2)=CCN1c1ccccc1

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 10 of 10 chemicals

5-Amino-4-benzothiazol-2-yl-1-(4-fluoro-phenyl)-1,2-dihydro-pyrrol-3-one chemical structure, C17H12FN3OS, CAS 457638-90-3
5-Amino-4-benzothiazol-2-yl-1-(4-fluoro-phenyl)-1,2-dihydro-pyrrol-3-one
CAS 457638-90-3C17H12FN3OS
5-Amino-4-benzothiazol-2-yl-1-(4-methoxy-phenyl)-1,2-dihydro-pyrrol-3-one chemical structure, C18H15N3O2S, CAS 325832-84-6
5-Amino-4-benzothiazol-2-yl-1-(4-methoxy-phenyl)-1,2-dihydro-pyrrol-3-one
CAS 325832-84-6C18H15N3O2S
2-Amino-3-benzothiazol-2-yl-1-(3-chloro-4-methylphenyl)-2-pyrrolin-4-one chemical structure, C18H14ClN3OS, CAS 457639-11-1
2-Amino-3-benzothiazol-2-yl-1-(3-chloro-4-methylphenyl)-2-pyrrolin-4-one
CAS 457639-11-1C18H14ClN3OS
Methyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate chemical structure, C19H15N3O3S, CAS 277742-44-6
Methyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
CAS 277742-44-6C19H15N3O3S
5-Amino-4-benzothiazol-2-yl-1-(4-chloro-phenyl)-1,2-dihydro-pyrrol-3-one chemical structure, C17H12ClN3OS, CAS 457638-88-9
5-Amino-4-benzothiazol-2-yl-1-(4-chloro-phenyl)-1,2-dihydro-pyrrol-3-one
CAS 457638-88-9C17H12ClN3OS
4-[5-Amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid chemical structure, C18H13N3O3S, CAS 610278-84-7
4-[5-Amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
CAS 610278-84-7C18H13N3O3S
2-Amino-3-benzothiazol-2-yl-1-(2,3-dichlorophenyl)-2-pyrrolin-4-one chemical structure, C17H11Cl2N3OS, CAS 457638-93-6
2-Amino-3-benzothiazol-2-yl-1-(2,3-dichlorophenyl)-2-pyrrolin-4-one
CAS 457638-93-6C17H11Cl2N3OS
3-[5-Amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid chemical structure, C18H13N3O3S, CAS 379726-61-1
3-[5-Amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoic acid
CAS 379726-61-1C18H13N3O3S
[(1-Cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate chemical structure, C26H25N5O4S, CAS 930719-49-6
[(1-Cyano-1,2-dimethylpropyl)carbamoyl]methyl 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
CAS 930719-49-6C26H25N5O4S
4-(1,3-Benzothiazol-2-yl)-5-imino-1-(3,4,5-trifluorophenyl)-2,5-dihydro-1H-pyrrol-3-ol chemical structure, C17H10F3N3OS, CAS 1676052-33-7
4-(1,3-Benzothiazol-2-yl)-5-imino-1-(3,4,5-trifluorophenyl)-2,5-dihydro-1H-pyrrol-3-ol
CAS 1676052-33-7C17H10F3N3OS