CompoundList
Sign in
Murcko scaffold

Ring system with 5 rings and 30 atoms

7 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
30
Chemicals
7
With full pages
1
Scaffold SMILES

O=C1C=CC2C(=C1)CCC1C2CCC2C(C(=O)COC(=O)c3ccncc3)CCC21

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=C1C=CC2C(=C1)CCC1C2CCC2C(C(=O)COC(=O)c3ccncc3)CCC21

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 7 of 7 chemicals

Dexamethasone isonicotinate chemical structure, C28H32FNO6, CAS 2265-64-7
Dexamethasone isonicotinate
CAS 2265-64-7C28H32FNO6
Dexa biciron chemical structure, C41H50ClFN4O6, CAS 76448-25-4
Dexa biciron
CAS 76448-25-4C41H50ClFN4O6
6alpha,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-isonicotinate chemical structure, C28H31F2NO6, CAS 94087-99-7
6alpha,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-isonicotinate
CAS 94087-99-7C28H31F2NO6
(9xi)-9-Fluoro-11beta,17-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-21-yl pyridine-4-carboxylate chemical structure, C28H32FNO6, CAS 94135-31-6
(9xi)-9-Fluoro-11beta,17-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-21-yl pyridine-4-carboxylate
CAS 94135-31-6C28H32FNO6
Vorenicol chemical structure, C67H73Cl2FN6O22, CAS 81391-23-3
Vorenicol
CAS 81391-23-3C67H73Cl2FN6O22
9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-isonicotinate chemical structure, C28H32FNO6
9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-isonicotinate
C28H32FNO6
Dexamethasone 21-isonicotinate-Oxytetracycline hydrochloride mixt. chemical structure, C50H57ClFN3O15, CAS 62253-16-1
Dexamethasone 21-isonicotinate-Oxytetracycline hydrochloride mixt.
CAS 62253-16-1C50H57ClFN3O15