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Murcko scaffold

Ring system with 5 rings and 38 atoms

12 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
38
Chemicals
12
With full pages
1
Scaffold SMILES

O=C(CCCCCN1C(=CC=CC=CC2=Nc3ccccc3C2)Cc2ccccc21)ON1C(=O)CCC1=O

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=C(CCCCCN1C(=CC=CC=CC2=Nc3ccccc3C2)Cc2ccccc21)ON1C(=O)CCC1=O

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 12 of 12 chemicals

Cyanine5 NHS ester (chloride) chemical structure, C36H42ClN3O4, CAS 1393470-85-3
Cyanine5 NHS ester (chloride)
CAS 1393470-85-3C36H42ClN3O4
2-(5-[1-[5-(2,5-Dioxo-pyrrolidin-1-yloxycarbonyl)-pentyl]-3,3-dimethyl-1,3-dihydro-indol-2-ylidene]-penta-1,3-dienyl)-1,3,3-trimethyl-3H-indolium bromide chemical structure, C36H42BrN3O4, CAS 1653991-59-3
2-(5-[1-[5-(2,5-Dioxo-pyrrolidin-1-yloxycarbonyl)-pentyl]-3,3-dimethyl-1,3-dihydro-indol-2-ylidene]-penta-1,3-dienyl)-1,3,3-trimethyl-3H-indolium bromide
CAS 1653991-59-3C36H42BrN3O4
Sulfo-Cyanine5 NHS ester chemical structure, C36H40N3NaO10S2, CAS 2230212-27-6
Sulfo-Cyanine5 NHS ester
CAS 2230212-27-6C36H40N3NaO10S2
Potassium 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-2-[5-(1,3,3-trimethyl-5-sulfoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate chemical structure, C36H41KN3O10S2+
Potassium 1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-2-[5-(1,3,3-trimethyl-5-sulfoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate
C36H41KN3O10S2+
Cyanine5 NHS ester chemical structure, C36H42ClN3O4, CAS 350686-88-3
Cyanine5 NHS ester
CAS 350686-88-3C36H42ClN3O4
diSulfo-Cy5 NHS Ester chemical structure, C36H40KN3O10S2
diSulfo-Cy5 NHS Ester
C36H40KN3O10S2
Cy5-NHS ester tetrafluoroborate chemical structure, C36H42BF4N3O4, CAS 1263093-76-0
Cy5-NHS ester tetrafluoroborate
CAS 1263093-76-0C36H42BF4N3O4
Sulfo Cyanine5 NHS ester chemical structure, C36H41N3O10S2, CAS 937739-58-7
Sulfo Cyanine5 NHS ester
CAS 937739-58-7C36H41N3O10S2
C36H41KN3O10S2 chemical structure, C36H41KN3O10S2
C36H41KN3O10S2
C36H41KN3O10S2
(2,5-Dioxopyrrolidin-1-yl) 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoate tetrafluoroborate chemical structure, C36H42BF4N3O4
(2,5-Dioxopyrrolidin-1-yl) 6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoate tetrafluoroborate
C36H42BF4N3O4
1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfo-2-(5-(1,3,3-trimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium bromide chemical structure, C36H42BrN3O10S2, CAS 2870641-82-8
1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfo-2-(5-(1,3,3-trimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium bromide
CAS 2870641-82-8C36H42BrN3O10S2
1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-2-(5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium tetrafluoroborate chemical structure, C36H42BF4N3O4
1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-2-(5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium tetrafluoroborate
C36H42BF4N3O4