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Murcko scaffold

Ring system with 5 rings and 24 atoms

5 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
24
Chemicals
5
With full pages
3
Scaffold SMILES

c1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3s2)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 c1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3s2)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 5 of 5 chemicals

Benzenamine, 4-(6-methyl[2,6'-bibenzothiazol]-2'-yl)- chemical structure, C21H15N3S2, CAS 95-22-7
Benzenamine, 4-(6-methyl[2,6'-bibenzothiazol]-2'-yl)-
CAS 95-22-7C21H15N3S2
(2,6'-Bibenzothiazole)-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl- chemical structure, C21H15N3O3S3, CAS 90268-11-4
(2,6'-Bibenzothiazole)-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-
CAS 90268-11-4C21H15N3O3S3
C.I. Direct Yellow 59 chemical structure, C21H14N3NaO3S3, CAS 8064-60-6
C.I. Direct Yellow 59
CAS 8064-60-6C21H14N3NaO3S3
Sodium 1-ethyl 2-((4-(6-methyl-2,6'-bibenzothiazol-2'-yl)-2-sulphonatophenyl)azo)acetoacetate chemical structure, C27H21N4NaO6S3, CAS 85586-71-6
Sodium 1-ethyl 2-((4-(6-methyl-2,6'-bibenzothiazol-2'-yl)-2-sulphonatophenyl)azo)acetoacetate
CAS 85586-71-6C27H21N4NaO6S3
Thioflavin S chemical structure, C25H24ClN3O3S3, CAS 1326-12-1
Thioflavin S
CAS 1326-12-1C25H24ClN3O3S3