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Murcko scaffold

Ring system with 5 rings and 30 atoms

17 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
30
Chemicals
17
With full pages
5
Scaffold SMILES

O=C1C=CC2C(=C1)CCC1C2CCC2C(C(=O)COC(=O)c3ccccc3)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)c3ccccc3)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 17 of 17 chemicals

(11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-21-((3-sulfobenzoyl)oxy)pregna-1,4-diene-3,20-dione chemical structure, C29H33FO9S, CAS 16978-57-7
(11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-21-((3-sulfobenzoyl)oxy)pregna-1,4-diene-3,20-dione
CAS 16978-57-7C29H33FO9S
Prednisolone metasulfobenzoate chemical structure, C28H32O9S, CAS 3694-41-5
Prednisolone metasulfobenzoate
CAS 3694-41-5C28H32O9S
NO-prednisolone chemical structure, C29H33NO9, CAS 327610-87-7
NO-prednisolone
CAS 327610-87-7C29H33NO9
(11Beta)-21-[[4-(chloromethyl)benzoyl]oxy]-11,17-dihydroxypregna-1,4-diene-3,20-dione chemical structure, C29H33ClO6, CAS 571186-61-3
(11Beta)-21-[[4-(chloromethyl)benzoyl]oxy]-11,17-dihydroxypregna-1,4-diene-3,20-dione
CAS 571186-61-3C29H33ClO6
9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetylsalicylate chemical structure, C30H33FO8, CAS 68497-92-7
9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetylsalicylate
CAS 68497-92-7C30H33FO8
9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-salicylate chemical structure, C28H31FO7, CAS 68497-93-8
9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-salicylate
CAS 68497-93-8C28H31FO7
6alpha,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-salicylate chemical structure, C29H32F2O7, CAS 68497-94-9
6alpha,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-salicylate
CAS 68497-94-9C29H32F2O7
Pregna-1,4-diene-3,20-dione, 21-(benzoyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)- chemical structure, C29H33FO6, CAS 24356-48-7
Pregna-1,4-diene-3,20-dione, 21-(benzoyloxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-
CAS 24356-48-7C29H33FO6
Cortobenzolone chemical structure, C28H31FO8, CAS 65849-38-9
Cortobenzolone
CAS 65849-38-9C28H31FO8
Dexamethasone metasulfobenzoate sodium chemical structure, C29H32FNaO9S, CAS 3936-02-5
Dexamethasone metasulfobenzoate sodium
CAS 3936-02-5C29H32FNaO9S
Prednisolone sodium metasulfobenzoate chemical structure, C28H31NaO9S, CAS 630-67-1
Prednisolone sodium metasulfobenzoate
CAS 630-67-1C28H31NaO9S
Sodium, 3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]carbonylbenzenesulfonate chemical structure, C28H31NaO9S, CAS 36570-50-0
Sodium, 3-[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]carbonylbenzenesulfonate
CAS 36570-50-0C28H31NaO9S
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-((3-sulfobenzoyl)oxy)-, monosodium salt, (11beta,16beta)- chemical structure, C29H32FNaO9S, CAS 94135-40-7
Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-((3-sulfobenzoyl)oxy)-, monosodium salt, (11beta,16beta)-
CAS 94135-40-7C29H32FNaO9S
9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate chemical structure, C31H35FO8, CAS 94087-97-5
9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate
CAS 94087-97-5C31H35FO8
11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate chemical structure, C31H36O8, CAS 94135-36-1
11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate
CAS 94135-36-1C31H36O8
Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-21-((3-sulfobenzoyl)oxy)-, monosodium salt, (11beta,16alpha)- chemical structure, C29H32FNaO8S, CAS 37413-97-1
Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-21-((3-sulfobenzoyl)oxy)-, monosodium salt, (11beta,16alpha)-
CAS 37413-97-1C29H32FNaO8S
Beclometasone salicylate chemical structure, C29H33ClO7, CAS 105702-60-1
Beclometasone salicylate
CAS 105702-60-1C29H33ClO7