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Murcko scaffold

Ring system with 6 rings and 31 atoms

65 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
31
Chemicals
65
With full pages
3
Scaffold SMILES

C(=CC=C1Cc2c(ccc3ccccc23)N1)C=CC1=Nc2ccc3ccccc3c2C1

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=C1Cc2c(ccc3ccccc23)N1)C=CC1=Nc2ccc3ccccc3c2C1

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 65 chemicals

NK 1841 (dye) chemical structure, C41H45N2NaO6S2, CAS 64285-36-5
NK 1841 (dye)
CAS 64285-36-5C41H45N2NaO6S2
IR 676 Iodide chemical structure, C35H35IN2, CAS 56289-64-6
IR 676 Iodide
CAS 56289-64-6C35H35IN2
1,1,3-Trimethyl-2-((1E,3E,5E)-5-(1,1,3-trimethyl-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dien-1-yl)-1H-benzo[e]indol-3-ium iodide chemical structure, C35H35IN2
1,1,3-Trimethyl-2-((1E,3E,5E)-5-(1,1,3-trimethyl-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dien-1-yl)-1H-benzo[e]indol-3-ium iodide
C35H35IN2
Cy5.5 carboxylic acid chemical structure, C40H42N2O2, CAS 1144107-80-1
Cy5.5 carboxylic acid
CAS 1144107-80-1C40H42N2O2
3-Butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benzo[e]indol-2-ylidene)-penta-1,3-dienyl]-1,1-dimethyl-1H-benzo[e]indolium perchlorate chemical structure, C41H47ClN2O4, CAS 121482-73-3
3-Butyl-2-[5-(3-butyl-1,3-dihydro-1,1-dimethyl-2H-benzo[e]indol-2-ylidene)-penta-1,3-dienyl]-1,1-dimethyl-1H-benzo[e]indolium perchlorate
CAS 121482-73-3C41H47ClN2O4
2-[(1e,3z)-3-Chloro-5-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadienyl]-1,1,3-trimethyl-1H-benzo[e]indolium perchlorate chemical structure, C35H34Cl2N2O4, CAS 81628-44-6
2-[(1e,3z)-3-Chloro-5-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadienyl]-1,1,3-trimethyl-1H-benzo[e]indolium perchlorate
CAS 81628-44-6C35H34Cl2N2O4
4,5:4',5'-Dibenzo-1,1-dibutyl-3,3,3',3'-tetramethylindadicarbocyanine perchlorate chemical structure, C41H47ClN2O4
4,5:4',5'-Dibenzo-1,1-dibutyl-3,3,3',3'-tetramethylindadicarbocyanine perchlorate
C41H47ClN2O4
(2E)-3-Butyl-2-[(2Z,4E)-5-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-3-chloropenta-2,4-dienylidene]-1,1-dimethylbenzo[e]indole perchlorate chemical structure, C41H46Cl2N2O4, CAS 220002-93-7
(2E)-3-Butyl-2-[(2Z,4E)-5-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-3-chloropenta-2,4-dienylidene]-1,1-dimethylbenzo[e]indole perchlorate
CAS 220002-93-7C41H46Cl2N2O4
1H-Benz[e]indolium, 2-[5-[1,3-dihydro-1,1-dimethyl-3-(3-sulfopropyl)-2H-benz[e]indol-2-ylidene]-1,3- chemical structure, C39H41N2NaO6S2, CAS 138248-55-2
1H-Benz[e]indolium, 2-[5-[1,3-dihydro-1,1-dimethyl-3-(3-sulfopropyl)-2H-benz[e]indol-2-ylidene]-1,3-
CAS 138248-55-2C39H41N2NaO6S2
1,1,3-Trimethyl-2-[5-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadienyl]-1H-benzo[e]indolium Iodide chemical structure, C35H35IN2
1,1,3-Trimethyl-2-[5-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)-1,3-pentadienyl]-1H-benzo[e]indolium Iodide
C35H35IN2
Cyanine5.5 carboxylic acid chemical structure, C40H42N2O2, CAS 1449612-07-0
Cyanine5.5 carboxylic acid
CAS 1449612-07-0C40H42N2O2
2-(5-(3-(5-Carboxypentyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium chemical structure, C40H43N2O2+, CAS 1449661-34-0
2-(5-(3-(5-Carboxypentyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1,1,3-trimethyl-1H-benzo[e]indol-3-ium
CAS 1449661-34-0C40H43N2O2+
3-Butyl-2-[5-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indole perchlorate chemical structure, C41H47ClN2O4
3-Butyl-2-[5-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indole perchlorate
C41H47ClN2O4
3-Butyl-2-[5-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-3-chloropenta-2,4-dienylidene]-1,1-dimethylbenzo[e]indole, tetrafluoroborate chemical structure, C41H46BClF4N2, CAS 354540-15-1
3-Butyl-2-[5-(3-butyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)-3-chloropenta-2,4-dienylidene]-1,1-dimethylbenzo[e]indole, tetrafluoroborate
CAS 354540-15-1C41H46BClF4N2
Sulfo-Cy5.5 azide chemical structure, C44H50N6O13S4, CAS 1955527-41-9
Sulfo-Cy5.5 azide
CAS 1955527-41-9C44H50N6O13S4
(2E)-2-[(2E,4E)-5-[1,1-Dimethyl-3-(3-methylbutyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethyl-3-(3-methylbutyl)benzo[e]indole hexafluorophosphate chemical structure, C43H51F6N2P, CAS 326801-92-7
(2E)-2-[(2E,4E)-5-[1,1-Dimethyl-3-(3-methylbutyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethyl-3-(3-methylbutyl)benzo[e]indole hexafluorophosphate
CAS 326801-92-7C43H51F6N2P
Cy55 carboxylic acid chemical structure, C40H43ClN2O2
Cy55 carboxylic acid
C40H43ClN2O2
Trisulfo-Cy5.5-alkyne chemical structure, C44H47N3O13S4, CAS 2055046-12-1
Trisulfo-Cy5.5-alkyne
CAS 2055046-12-1C44H47N3O13S4
3-Ethyl-2-(5-(3-ethyl-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium iodide chemical structure, C37H39IN2, CAS 123791-69-5
3-Ethyl-2-(5-(3-ethyl-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dien-1-yl)-1,1-dimethyl-1H-benzo[e]indol-3-ium iodide
CAS 123791-69-5C37H39IN2
Cyanine 5.5 azide chemical structure, C43H49ClN6O, CAS 1557136-25-0
Cyanine 5.5 azide
CAS 1557136-25-0C43H49ClN6O
C39H43N2NaO6S2+ chemical structure, C39H43N2NaO6S2+
C39H43N2NaO6S2+
C39H43N2NaO6S2+
Cy5.5-carboxylic acid chloride chemical structure, C40H43ClN2O2, CAS 2410537-32-3
Cy5.5-carboxylic acid chloride
CAS 2410537-32-3C40H43ClN2O2
2-[5-[3-(5-Carboxypentyl)-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene]-1,3-pentadien-1-yl]-1,1,3-trimethyl-1H-benz[e]indolium, inner salt chemical structure, C40H42N2O2
2-[5-[3-(5-Carboxypentyl)-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene]-1,3-pentadien-1-yl]-1,1,3-trimethyl-1H-benz[e]indolium, inner salt
C40H42N2O2
Cy5.5 acid(mono so3) chemical structure, C43H48N2O5S, CAS 251102-88-2
Cy5.5 acid(mono so3)
CAS 251102-88-2C43H48N2O5S