CompoundList
Sign in
Murcko scaffold

Ring system with 5 rings and 38 atoms

18 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
38
Chemicals
18
With full pages
3
Scaffold SMILES

O=C(CCCCC[N+]1=C(C=CC=CC=C2Cc3ccccc3N2)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(CCCCC[N+]1=C(C=CC=CC=C2Cc3ccccc3N2)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 18 of 18 chemicals

Potassium 2-[5-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate chemical structure, C37H42KN3O10S2
Potassium 2-[5-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
C37H42KN3O10S2
NIR-641 N-succinimidyl ester chemical structure, C37H44ClN3O4, CAS 190714-26-2
NIR-641 N-succinimidyl ester
CAS 190714-26-2C37H44ClN3O4
Nir-641 N-succinimidyl ester* chemical structure, C37H44ClN3O4
Nir-641 N-succinimidyl ester*
C37H44ClN3O4
Cyanine 5 monofunctional hexanoic acid dye, succinimidyl ester, potassium salt chemical structure, C37H42KN3O10S2, CAS 1358906-77-0
Cyanine 5 monofunctional hexanoic acid dye, succinimidyl ester, potassium salt
CAS 1358906-77-0C37H42KN3O10S2
(2,5-Dioxopyrrolidin-1-yl) 6-[2-[5-(1-ethyl-3,3-dimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate chloride chemical structure, C37H44ClN3O4
(2,5-Dioxopyrrolidin-1-yl) 6-[2-[5-(1-ethyl-3,3-dimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate chloride
C37H44ClN3O4
RefChem:458481 chemical structure, C39H47N3O7S, CAS 400051-84-5
RefChem:458481
CAS 400051-84-5C39H47N3O7S
Cy5 NHS Ester chemical structure, C37H43N3O10S2, CAS 146368-14-1
Cy5 NHS Ester
CAS 146368-14-1C37H43N3O10S2
Cy5 se(tri so3) chemical structure, C39H47N3O13S3, CAS 881178-43-4
Cy5 se(tri so3)
CAS 881178-43-4C39H47N3O13S3
Cy5-se/dipea(1:1) chemical structure, C45H62N4O10S2, CAS 1033006-65-3
Cy5-se/dipea(1:1)
CAS 1033006-65-3C45H62N4O10S2
CY5-SE triethylamine salt chemical structure, C43H58N4O10S2
CY5-SE triethylamine salt
C43H58N4O10S2
Orb1219256 chemical structure, C43H58N4O10S2, CAS 1497420-70-8
Orb1219256
CAS 1497420-70-8C43H58N4O10S2
CY5-SE (triethylamine salt) chemical structure, C43H58N4O10S2
CY5-SE (triethylamine salt)
C43H58N4O10S2
Cyanine 5 monofunctional hexanoic acid dye, succinimidyl ester, potassium salt chemical structure, C37H42KN3O10S2
Cyanine 5 monofunctional hexanoic acid dye, succinimidyl ester, potassium salt
C37H42KN3O10S2
Disodium mono(2-((1E,3E)-5-((E)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate) chemical structure, C38H44N3Na2O11S2+, CAS 2598349-80-3
Disodium mono(2-((1E,3E)-5-((E)-1-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfonatoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate)
CAS 2598349-80-3C38H44N3Na2O11S2+
2-((1E,3E)-5-((E)-1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate chemical structure, C38H45N3O11S2, CAS 2598349-79-0
2-((1E,3E)-5-((E)-1-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-1-(2-methoxyethyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
CAS 2598349-79-0C38H45N3O11S2
CY5-SE Sodium chemical structure, C37H42N3NaO10S2, CAS 265651-19-2
CY5-SE Sodium
CAS 265651-19-2C37H42N3NaO10S2
Cyanine 5 monofunctional hexanoic acid succinimidyl ester chemical structure, C37H43N3O10S2, CAS 917979-27-2
Cyanine 5 monofunctional hexanoic acid succinimidyl ester
CAS 917979-27-2C37H43N3O10S2
Orb3211319 chemical structure, C37H44BrN3O4, CAS 2088919-43-9
Orb3211319
CAS 2088919-43-9C37H44BrN3O4