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Murcko scaffold

Ring system with 5 rings and 27 atoms

8 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
27
Chemicals
8
With full pages
1
Scaffold SMILES

O=C1C=CC2C(CCC3C2CCC2C(C(=O)Nc4ccccc4)CCC23)N1

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(CCC3C2CCC2C(C(=O)Nc4ccccc4)CCC23)N1

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 8 of 8 chemicals

Dutasteride chemical structure, C27H30F6N2O2, CAS 164656-23-9
Dutasteride
CAS 164656-23-9C27H30F6N2O2
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-Chlorophenyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide chemical structure, C26H33ClN2O2, CAS 188589-66-4
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(2-Chlorophenyl)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CAS 188589-66-4C26H33ClN2O2
Tfm-4AS-1 chemical structure, C27H33F3N2O2, CAS 188589-61-9
Tfm-4AS-1
CAS 188589-61-9C27H33F3N2O2
N-[2,5-bis(trifluoromethyl)phenyl]-4a,6a-dimethyl-2-oxo-1H,2H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH,10H,11H,11aH-indeno[5,4-f]quinoline-7-carboxamide chemical structure, C27H30F6N2O2, CAS 2109228-86-4
N-[2,5-bis(trifluoromethyl)phenyl]-4a,6a-dimethyl-2-oxo-1H,2H,4aH,4bH,5H,6H,6aH,7H,8H,9H,9aH,9bH,10H,11H,11aH-indeno[5,4-f]quinoline-7-carboxamide
CAS 2109228-86-4C27H30F6N2O2
Dutasteride-13C6 chemical structure, C27H30F6N2O2, CAS 1217685-27-2
Dutasteride-13C6
CAS 1217685-27-2C27H30F6N2O2
5-beta-Dutasteride chemical structure, C27H30F6N2O2, CAS 957229-52-6
5-beta-Dutasteride
CAS 957229-52-6C27H30F6N2O2
17a-Dutasteride chemical structure, C27H30F6N2O2, CAS 2102935-76-0
17a-Dutasteride
CAS 2102935-76-0C27H30F6N2O2
Dutasteride-d3Discontinued, see D735004 chemical structure, C27H30F6N2O2, CAS 1131341-46-2
Dutasteride-d3Discontinued, see D735004
CAS 1131341-46-2C27H30F6N2O2