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Murcko scaffold

Ring system with 5 rings and 36 atoms

13 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
36
Chemicals
13
With full pages
3
Scaffold SMILES

[N+]=C1C=CC(=C(c2ccc(NCc3ccccc3)cc2)c2ccc(NCc3ccccc3)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(c2ccc(NCc3ccccc3)cc2)c2ccc(NCc3ccccc3)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 13 of 13 chemicals

RefChem:117647 chemical structure, C43H49N3O6S2, CAS 25305-87-7
RefChem:117647
CAS 25305-87-7C43H49N3O6S2
Formyl Violet SChB chemical structure, C39H40N3NaO6S2, CAS 15721-29-6
Formyl Violet SChB
CAS 15721-29-6C39H40N3NaO6S2
Benzyl Violet 4B parent chemical structure, C39H41N3O6S2, CAS 25329-63-9
Benzyl Violet 4B parent
CAS 25329-63-9C39H41N3O6S2
Acid blue 104 chemical structure, C43H49N3NaO6S2+, CAS 6505-30-2
Acid blue 104
CAS 6505-30-2C43H49N3NaO6S2+
RefChem:563436 chemical structure, C41H44N3NaO6S2, CAS 94248-53-0
RefChem:563436
CAS 94248-53-0C41H44N3NaO6S2
Hydrogen (4-((4-(dimethylamino)phenyl)(4-(ethyl(sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(sulphonatobenzyl)ammonium chemical structure, C39H41N3O6S2, CAS 94248-54-1
Hydrogen (4-((4-(dimethylamino)phenyl)(4-(ethyl(sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(sulphonatobenzyl)ammonium
CAS 94248-54-1C39H41N3O6S2
RefChem:789046 chemical structure, C43H48N3NaO6S2, CAS 97334-73-1
RefChem:789046
CAS 97334-73-1C43H48N3NaO6S2
RefChem:563435 chemical structure, C43H48N3O6S2-, CAS 73215-38-0
RefChem:563435
CAS 73215-38-0C43H48N3O6S2-
RefChem:117648 chemical structure, C86H98BaN6O12S4+2, CAS 68399-75-7
RefChem:117648
CAS 68399-75-7C86H98BaN6O12S4+2
Trihydrogen tris((4-((4-(diethylamino)phenyl)(4-(ethyl(3-sulphonatobenzyl)amino)-o-tolyl)methylene)-3-methylcyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium), aluminium salt chemical structure, C129H147AlN9O18S6+3, CAS 84473-87-0
Trihydrogen tris((4-((4-(diethylamino)phenyl)(4-(ethyl(3-sulphonatobenzyl)amino)-o-tolyl)methylene)-3-methylcyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium), aluminium salt
CAS 84473-87-0C129H147AlN9O18S6+3
Acid Violet 49 chemical structure, C39H41N3NaO6S2, CAS 1694-09-3
Acid Violet 49
CAS 1694-09-3C39H41N3NaO6S2
C.I.Food Violet 2:1 chemical structure, C117H120AlN9O18S6, CAS 16083-37-7
C.I.Food Violet 2:1
CAS 16083-37-7C117H120AlN9O18S6
2-({[4-([4-(Dimethylamino)phenyl]{4-[ethyl(3-sulfobenzyl)amino]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate chemical structure, C39H41N3O6S2, CAS 730908-89-1
2-({[4-([4-(Dimethylamino)phenyl]{4-[ethyl(3-sulfobenzyl)amino]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene](ethyl)ammonio}methyl)benzenesulfonate
CAS 730908-89-1C39H41N3O6S2