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Murcko scaffold

Ring system with 4 rings and 27 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
5
With full pages
1
Scaffold SMILES

[N+]=C1C=CC(=C(c2ccccc2)c2ccc(Nc3ccccc3)cc2)C=C1

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 [N+]=C1C=CC(=C(c2ccccc2)c2ccc(Nc3ccccc3)cc2)C=C1

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 5 of 5 chemicals

RefChem:789047 chemical structure, C32H34N3NaO7S2, CAS 1324-50-1
RefChem:789047
CAS 1324-50-1C32H34N3NaO7S2
RefChem:430832 chemical structure, C39H48N3NaO7S2, CAS 5863-47-8
RefChem:430832
CAS 5863-47-8C39H48N3NaO7S2
(4-(p-(Diethylamino)-alpha-(p-(N-methyl-m-sulfoanilino)phenyl)benzylidene)-2,5-cyclohexadien-1-ylidene)diethylammonium hydroxide, inner salt chemical structure, C34H39N3O3S, CAS 6104-57-0
(4-(p-(Diethylamino)-alpha-(p-(N-methyl-m-sulfoanilino)phenyl)benzylidene)-2,5-cyclohexadien-1-ylidene)diethylammonium hydroxide, inner salt
CAS 6104-57-0C34H39N3O3S
2-Hydroxyethyl-[4-[[4-[2-hydroxyethyl(methyl)amino]phenyl]-[4-(4-methoxy-N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium chloride chemical structure, C33H38ClN3O3, CAS 75631-33-3
2-Hydroxyethyl-[4-[[4-[2-hydroxyethyl(methyl)amino]phenyl]-[4-(4-methoxy-N-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-methylazanium chloride
CAS 75631-33-3C33H38ClN3O3
Benzylium, alpha,alpha-bis[4-[(2-cyanoethyl)ethylamino]-o-tolyl]-p-(p-toluidino)- chemical structure, C38H42N5+, CAS 24138-57-6
Benzylium, alpha,alpha-bis[4-[(2-cyanoethyl)ethylamino]-o-tolyl]-p-(p-toluidino)-
CAS 24138-57-6C38H42N5+