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Murcko scaffold

1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-,(1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- scaffold

9 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
12
Chemicals
9
With full pages
3
Scaffold SMILES

C1=CC2CC1C1C3C=CC(C3)C21

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 scaffoldOpen the 1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-,(1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- page
Murcko scaffold C1=CC2CC1C1C3C=CC(C3)C21

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 9 of 9 chemicals

1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-dimethanonaphthalene chemical structure, C12H8Cl6, CAS 124-96-9
1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4,5,8-dimethanonaphthalene
CAS 124-96-9C12H8Cl6
1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-,(1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- chemical structure, C12H14, CAS 1076-13-7
1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-,(1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)-
CAS 1076-13-7C12H14
Thiraldin chemical structure, C18H20Cl6N2O2S2, CAS 37262-63-8
Thiraldin
CAS 37262-63-8C18H20Cl6N2O2S2
1,2,3,4-Tetrachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene chemical structure, C12H10Cl4, CAS 91384-10-0
1,2,3,4-Tetrachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
CAS 91384-10-0C12H10Cl4
Isodrin chemical structure, C12H8Cl6, CAS 465-73-6
Isodrin
CAS 465-73-6C12H8Cl6
Aldrin chemical structure, C12H8Cl6, CAS 309-00-2
Aldrin
CAS 309-00-2C12H8Cl6
Aldrex chemical structure, C22H22Cl6NO5PS, CAS 8063-66-9
Aldrex
CAS 8063-66-9C22H22Cl6NO5PS
(1R,2R,3S,6R,7S,8S)-1,8,9,10,11,11-Hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene chemical structure, C12H8Cl6, CAS 475274-98-7
(1R,2R,3S,6R,7S,8S)-1,8,9,10,11,11-Hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
CAS 475274-98-7C12H8Cl6
Aldrin-(13C12) chemical structure, C12H8Cl6, CAS 475274-95-4
Aldrin-(13C12)
CAS 475274-95-4C12H8Cl6