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Murcko scaffold

Ring system with 4 rings and 21 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
4
With full pages
1
Scaffold SMILES

O=C1c2ccccc2C(=O)c2c(NCC3CO3)cccc21

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=C1c2ccccc2C(=O)c2c(NCC3CO3)cccc21

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 4 of 4 chemicals

1-[[3-(Diethylamino)-2-hydroxypropyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione chemical structure, C24H29N3O4, CAS 142645-19-0
1-[[3-(Diethylamino)-2-hydroxypropyl]amino]-4-(oxiran-2-ylmethylamino)anthracene-9,10-dione
CAS 142645-19-0C24H29N3O4
1-((3-(Diethylamino)-2-hydroxypropyl)amino)-4-((2,3-epoxypropyl)amino)-9,10-anthracenedione fumaric acid salt chemical structure, C28H33N3O8, CAS 144181-12-4
1-((3-(Diethylamino)-2-hydroxypropyl)amino)-4-((2,3-epoxypropyl)amino)-9,10-anthracenedione fumaric acid salt
CAS 144181-12-4C28H33N3O8
1-(Ethylamino)-4-{[(oxiran-2-yl)methyl]amino}anthracene-9,10-dione chemical structure, C19H18N2O3, CAS 62649-67-6
1-(Ethylamino)-4-{[(oxiran-2-yl)methyl]amino}anthracene-9,10-dione
CAS 62649-67-6C19H18N2O3
Bda-366 chemical structure, C24H29N3O4, CAS 1909226-00-1
Bda-366
CAS 1909226-00-1C24H29N3O4