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Murcko scaffold

Ring system with 5 rings and 28 atoms

111 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
111
With full pages
5
Scaffold SMILES

C(=CC1=Nc2ccccc2C1)C1=CC(=CC=C2Cc3ccccc3N2)CCC1

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(=CC1=Nc2ccccc2C1)C1=CC(=CC=C2Cc3ccccc3N2)CCC1

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 111 chemicals

2-(2-(2-Chloro-3-(2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-1,3,3-trimethyl-3H-indolium chemical structure, C32H36ClN2+, CAS 69415-17-4
2-(2-(2-Chloro-3-(2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene)-1-cyclohexen-1-yl)ethenyl)-1,3,3-trimethyl-3H-indolium
CAS 69415-17-4C32H36ClN2+
2-[2-[2-Chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole, perchlorate chemical structure, C32H36Cl2N2O4, CAS 102185-03-5
2-[2-[2-Chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole, perchlorate
CAS 102185-03-5C32H36Cl2N2O4
(2E)-2-[(2E)-2-[2-Chloro-3-[(E)-2-[1-(3-isothiocyanatopropyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(3-isothiocyanatopropyl)-3,3-dimethylindole bromide chemical structure, C38H42BrClN4S2
(2E)-2-[(2E)-2-[2-Chloro-3-[(E)-2-[1-(3-isothiocyanatopropyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1-(3-isothiocyanatopropyl)-3,3-dimethylindole bromide
C38H42BrClN4S2
2-[2-[2-Chloro-3-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohex-1-en-1-yl]vinyl]-1,3,3-trimethyl-3H-indol-1-ium Iodide chemical structure, C32H36ClIN2, CAS 56289-67-9
2-[2-[2-Chloro-3-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohex-1-en-1-yl]vinyl]-1,3,3-trimethyl-3H-indol-1-ium Iodide
CAS 56289-67-9C32H36ClIN2
Sodium 3-(2-(2-(2-chloro-3-(2-(3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)propane-1-sulfonate chemical structure, C36H42ClN2NaO6S2
Sodium 3-(2-(2-(2-chloro-3-(2-(3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indol-1-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-3,3-dimethylindolin-1-yl)propane-1-sulfonate
C36H42ClN2NaO6S2
IR-786 iodide chemical structure, C32H36ClIN2
IR-786 iodide
C32H36ClIN2
RefChem:485490 chemical structure, C38H44ClN2Na3O12S4, CAS 162093-39-2
RefChem:485490
CAS 162093-39-2C38H44ClN2Na3O12S4
IR-775 chloride chemical structure, C32H36Cl2N2
IR-775 chloride
C32H36Cl2N2
Cy7 bis-acid chemical structure, C42H52ClN2O4+, CAS 1802626-09-0
Cy7 bis-acid
CAS 1802626-09-0C42H52ClN2O4+
IR 780 chemical structure, C36H44ClIN2, CAS 207399-07-3
IR 780
CAS 207399-07-3C36H44ClIN2
IR-775 chloride chemical structure, C32H36Cl2N2
IR-775 chloride
C32H36Cl2N2
3H-Indolium, 1-(5-carboxypentyl)-2-[2-[3-[2-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-, bromide (1:1) chemical structure, C42H52BrClN2O4
3H-Indolium, 1-(5-carboxypentyl)-2-[2-[3-[2-[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-, bromide (1:1)
C42H52BrClN2O4
3H-Indolium,2-[2-[2-chloro-3-[(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propyl-, iodide chemical structure, C36H44ClIN2
3H-Indolium,2-[2-[2-chloro-3-[(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propyl-, iodide
C36H44ClIN2
2-((e)-2-(2-Methoxy-3-[(e)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl)ethenyl)-1,3,3-trimethyl-3H-indolium perchlorate chemical structure, C33H39ClN2O5, CAS 70446-24-1
2-((e)-2-(2-Methoxy-3-[(e)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl)ethenyl)-1,3,3-trimethyl-3H-indolium perchlorate
CAS 70446-24-1C33H39ClN2O5
Sodium (2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole-5-sulfonate chemical structure, C32H34ClN2NaO6S2, CAS 328064-20-6
Sodium (2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethyl-5-sulfonatoindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole-5-sulfonate
CAS 328064-20-6C32H34ClN2NaO6S2
3H-Indolium, 2-[2-[2-chloro-3-[[1,3-dihydro-3,3-dimethyl-1-(3-sulfopropyl)-2H-indol-2-ylidene]ethyli chemical structure, C36H42ClN2NaO6S2, CAS 115970-63-3
3H-Indolium, 2-[2-[2-chloro-3-[[1,3-dihydro-3,3-dimethyl-1-(3-sulfopropyl)-2H-indol-2-ylidene]ethyli
CAS 115970-63-3C36H42ClN2NaO6S2
6-[(2E)-2-[(2E)-2-[3-[(E)-2-[1-(5-Carboxypentyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanoic acid bromide chemical structure, C42H52BrClN2O4
6-[(2E)-2-[(2E)-2-[3-[(E)-2-[1-(5-Carboxypentyl)-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanoic acid bromide
C42H52BrClN2O4
(2E)-2-[(2E)-2-[2-Chloro-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole tetrafluoroborate chemical structure, C32H36BClF4N2
(2E)-2-[(2E)-2-[2-Chloro-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole tetrafluoroborate
C32H36BClF4N2
2-[2-[2-Chloro-3-[(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindolium iodide chemical structure, C36H44ClIN2, CAS 528584-83-0
2-[2-[2-Chloro-3-[(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindolium iodide
CAS 528584-83-0C36H44ClIN2
2-(2-{2-Chloro-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-1,3,3-trimethyl-3H-indol-1-ium bromide chemical structure, C32H36BrClN2, CAS 212964-63-1
2-(2-{2-Chloro-3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-1,3,3-trimethyl-3H-indol-1-ium bromide
CAS 212964-63-1C32H36BrClN2
1,3,3-Trimethyl-2-(2-{3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-3H-indol-1-ium iodide chemical structure, C32H37IN2, CAS 140648-15-3
1,3,3-Trimethyl-2-(2-{3-[2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-3H-indol-1-ium iodide
CAS 140648-15-3C32H37IN2
2-(2-(2-Chloro-3-(2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene)-1-cyclohexen-1-yl)-ethenyl)-1,3,3-trimethyl-3H-indolium chloride chemical structure, C32H36Cl2N2, CAS 199444-11-6
2-(2-(2-Chloro-3-(2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-ethylidene)-1-cyclohexen-1-yl)-ethenyl)-1,3,3-trimethyl-3H-indolium chloride
CAS 199444-11-6C32H36Cl2N2
2-[2-[2-Chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2 h-indol-2-ylidene) ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethylindolium iodide chemical structure, C32H36ClIN2
2-[2-[2-Chloro-3-[(1,3-dihydro-1,3,3-trimethyl-2 h-indol-2-ylidene) ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethylindolium iodide
C32H36ClIN2
RefChem:1098689 chemical structure, C38H46ClN2NaO6S2, CAS 115970-66-6
RefChem:1098689
CAS 115970-66-6C38H46ClN2NaO6S2