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Murcko scaffold

Ring system with 4 rings and 23 atoms

250 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
23
Chemicals
250
With full pages
6
Scaffold SMILES

C(=CC=C1Cc2ccccc2N1)C=CC1=Nc2ccccc2C1

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 C(=CC=C1Cc2ccccc2N1)C=CC1=Nc2ccccc2C1

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 48 of 250 chemicals

1,1',3,3,3',3'-Hexamethylindodicarbocyanine iodide chemical structure, C27H31IN2, CAS 36536-22-8
1,1',3,3,3',3'-Hexamethylindodicarbocyanine iodide
CAS 36536-22-8C27H31IN2
1,1',3,3,3',3'-Hexamethylindodicarbocyanine chemical structure, C27H31N2+, CAS 48221-03-0
1,1',3,3,3',3'-Hexamethylindodicarbocyanine
CAS 48221-03-0C27H31N2+
DiD perchlorate chemical structure, C61H99ClN2O4
DiD perchlorate
C61H99ClN2O4
1,3,3-Trimethyl-2-(5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium iodide chemical structure, C27H31IN2, CAS 186311-60-4
1,3,3-Trimethyl-2-(5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-3H-indol-1-ium iodide
CAS 186311-60-4C27H31IN2
(2Z)-2-[(2E,4E)-5-(3,3-Dimethyl-1-octadecylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-1-octadecylindole perchlorate chemical structure, C61H99ClN2O4
(2Z)-2-[(2E,4E)-5-(3,3-Dimethyl-1-octadecylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-1-octadecylindole perchlorate
C61H99ClN2O4
1-Ethyl-2-[(1E,3E)-5-[(2Z)-1-ethyl-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-3H-indol-1-ium iodide chemical structure, C29H35IN2
1-Ethyl-2-[(1E,3E)-5-[(2Z)-1-ethyl-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl]-3,3-dimethyl-3H-indol-1-ium iodide
C29H35IN2
1-(5-Carboxypentyl)-2-(5-(1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium chemical structure, C37H47N2O10S2+, CAS 185308-25-2
1-(5-Carboxypentyl)-2-(5-(1-(5-carboxypentyl)-3,3-dimethyl-5-sulfoindolin-2-ylidene)penta-1,3-dien-1-yl)-3,3-dimethyl-5-sulfo-3H-indol-1-ium
CAS 185308-25-2C37H47N2O10S2+
Potassium (2Z)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate chemical structure, C33H39KN2O8S2
Potassium (2Z)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
C33H39KN2O8S2
1,3,3-Trimethyl-2-(5-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-penta-1,3-dienyl)-3H-indolium tetrafluoroborate chemical structure, C27H31BF4N2, CAS 38575-74-5
1,3,3-Trimethyl-2-(5-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-penta-1,3-dienyl)-3H-indolium tetrafluoroborate
CAS 38575-74-5C27H31BF4N2
2-[5-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-3H-indolium chloride chemical structure, C27H31ClN2
2-[5-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-1,3,3-trimethyl-3H-indolium chloride
C27H31ClN2
1,1',3,3,3',3'-Hexamethylindodicarbocyanine perchlorate chemical structure, C27H31ClN2O4
1,1',3,3,3',3'-Hexamethylindodicarbocyanine perchlorate
C27H31ClN2O4
2-(5-(1-(5-Carboxypentyl)-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chemical structure, C32H39N2O2+, CAS 766503-38-2
2-(5-(1-(5-Carboxypentyl)-3,3-dimethylindolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium
CAS 766503-38-2C32H39N2O2+
2-[5-[1,3-Dihydro-1-(3-hydroxypropyl)-3,3-dimethyl-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-(3-hydroxypropyl)-3,3-dimethyl-3H-indolium Chloride chemical structure, C31H39ClN2O2
2-[5-[1,3-Dihydro-1-(3-hydroxypropyl)-3,3-dimethyl-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-(3-hydroxypropyl)-3,3-dimethyl-3H-indolium Chloride
C31H39ClN2O2
RefChem:1082311 chemical structure, C61H99ClN2O4, CAS 127274-91-3
RefChem:1082311
CAS 127274-91-3C61H99ClN2O4
3H-Indolium, 2-[5-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt chemical structure, C33H40N2O8S2, CAS 146368-11-8
3H-Indolium, 2-[5-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-, inner salt
CAS 146368-11-8C33H40N2O8S2
Potassium, (2E)-1-(5-carboxypentyl)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate chemical structure, C32H37KN2O8S2
Potassium, (2E)-1-(5-carboxypentyl)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate
C32H37KN2O8S2
CypHer5 chemical structure, C31H36N2O8S2
CypHer5
C31H36N2O8S2
3H-Indolium, 1-heptyl-2-[5-(1-heptyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-, (T-4)-butyltriphenylborate(1-) (1:1) chemical structure, C61H79BN2, CAS 123051-21-8
3H-Indolium, 1-heptyl-2-[5-(1-heptyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-, (T-4)-butyltriphenylborate(1-) (1:1)
CAS 123051-21-8C61H79BN2
3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-pentyl-, bromide (1:1) chemical structure, C35H47BrN2, CAS 122625-13-2
3H-Indolium, 2-[5-(1,3-dihydro-3,3-dimethyl-1-pentyl-2H-indol-2-ylidene)-1,3-pentadien-1-yl]-3,3-dimethyl-1-pentyl-, bromide (1:1)
CAS 122625-13-2C35H47BrN2
2-[(1E,3E)-3-(3-Hydroxypropyl)-5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-3H-indolium perchlorate chemical structure, C30H37ClN2O5, CAS 63899-25-2
2-[(1E,3E)-3-(3-Hydroxypropyl)-5-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1,3-pentadienyl]-1,3,3-trimethyl-3H-indolium perchlorate
CAS 63899-25-2C30H37ClN2O5
1,1',3,3,3',3'-Hexamethylindodicarbocyanine perchlorate chemical structure, C27H31ClN2O4, CAS 81666-87-7
1,1',3,3,3',3'-Hexamethylindodicarbocyanine perchlorate
CAS 81666-87-7C27H31ClN2O4
3H-Indolium, 2-[5-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-2-ylidene]-1,3-pentad chemical structure, C31H35N2Na3O12S4, CAS 190517-63-6
3H-Indolium, 2-[5-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2H-indol-2-ylidene]-1,3-pentad
CAS 190517-63-6C31H35N2Na3O12S4
(2E)-2-[(2E,4E)-5-(3,3-Dimethyl-1-propylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-1-propylindole iodide chemical structure, C31H39IN2
(2E)-2-[(2E,4E)-5-(3,3-Dimethyl-1-propylindol-1-ium-2-yl)penta-2,4-dienylidene]-3,3-dimethyl-1-propylindole iodide
C31H39IN2
Cyanine 5 monofunctional hexanoic acid dye, potassium salt chemical structure, C33H39KN2O8S2
Cyanine 5 monofunctional hexanoic acid dye, potassium salt
C33H39KN2O8S2