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Murcko scaffold

Ring system with 4 rings and 21 atoms

36 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
36
With full pages
4
Scaffold SMILES

C(=Cc1nc2ccccc2[nH]1)C=C1Nc2ccccc2N1

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(=Cc1nc2ccccc2[nH]1)C=C1Nc2ccccc2N1

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 36 of 36 chemicals

5,6-Dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(4-sulphobutyl)-1H-benzimidazolium chemical structure, C29H35Cl4N4O6S2+
5,6-Dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(4-sulphobutyl)-1H-benzimidazolium
C29H35Cl4N4O6S2+
RefChem:79721 chemical structure, C35H49Cl4N5O6S2, CAS 63148-91-4
RefChem:79721
CAS 63148-91-4C35H49Cl4N5O6S2
RefChem:79704 chemical structure, C27H27F6N4NaO6S2, CAS 63815-86-1
RefChem:79704
CAS 63815-86-1C27H27F6N4NaO6S2
RefChem:79720 chemical structure, C29H34Cl4N4O6S2, CAS 3325-10-8
RefChem:79720
CAS 3325-10-8C29H34Cl4N4O6S2
4-[6-Cyano-2-[3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate chemical structure, C29H32N6O3S, CAS 109025-88-9
4-[6-Cyano-2-[3-(5-cyano-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]butane-1-sulfonate
CAS 109025-88-9C29H32N6O3S
3-[6-Ethoxycarbonyl-2-[(E,3E)-3-(5-ethoxycarbonyl-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]propane-1-sulfonate chemical structure, C32H40N4O7S, CAS 32634-40-5
3-[6-Ethoxycarbonyl-2-[(E,3E)-3-(5-ethoxycarbonyl-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-3-ium-1-yl]propane-1-sulfonate
CAS 32634-40-5C32H40N4O7S
5,6-Dichloro-2-(3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1,3-diethyl-1H-benzimidazolium chemical structure, C25H27Cl4N4+, CAS 21527-78-6
5,6-Dichloro-2-(3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1,3-diethyl-1H-benzimidazolium
CAS 21527-78-6C25H27Cl4N4+
RefChem:789060 chemical structure, C29H33Cl4N4NaO6S2, CAS 18462-64-1
RefChem:789060
CAS 18462-64-1C29H33Cl4N4NaO6S2
RefChem:79711 chemical structure, C29H31BrCl4N4O4, CAS 25243-59-8
RefChem:79711
CAS 25243-59-8C29H31BrCl4N4O4
RefChem:79726 chemical structure, C29H29Cl2F6N4NaO6S2, CAS 33628-05-6
RefChem:79726
CAS 33628-05-6C29H29Cl2F6N4NaO6S2
5,5',6,6'-Tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine iodide chemical structure, C25H27Cl4IN4, CAS 3520-43-2
5,5',6,6'-Tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanine iodide
CAS 3520-43-2C25H27Cl4IN4
4-[(2E)-5,6-Dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonic acid chemical structure, C29H35Cl4N4O6S2+, CAS 53332-87-9
4-[(2E)-5,6-Dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonic acid
CAS 53332-87-9C29H35Cl4N4O6S2+
RefChem:79727 chemical structure, C31H33Cl2F6N4NaO6S2, CAS 33628-07-8
RefChem:79727
CAS 33628-07-8C31H33Cl2F6N4NaO6S2
1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(3-sulfobutyl)-, inner salt chemical structure, C27H30Cl4N4O3S, CAS 28118-10-7
1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(3-sulfobutyl)-, inner salt
CAS 28118-10-7C27H30Cl4N4O3S
5,6-Dichloro-2-(3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-enyl)-1-ethyl-3-(2-(mesylamino)-2-oxoethyl)-1H-benzimidazolium ate chemical structure, C26H27Cl4N5O3S
5,6-Dichloro-2-(3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-enyl)-1-ethyl-3-(2-(mesylamino)-2-oxoethyl)-1H-benzimidazolium ate
C26H27Cl4N5O3S
5-Cyano-2-(3-(5-cyano-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(4-sulfobutyl)-1H-benzimidazolium hydroxide inner salt chemical structure, C29H32N6O3S, CAS 32634-36-9
5-Cyano-2-(3-(5-cyano-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(4-sulfobutyl)-1H-benzimidazolium hydroxide inner salt
CAS 32634-36-9C29H32N6O3S
2-(3-(1,3-Diethyl-1,3-dihydro-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1,3-diethyl-5-(trifluoromethyl)-1H-benzimidazolium chemical structure, C27H29F6N4+
2-(3-(1,3-Diethyl-1,3-dihydro-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1,3-diethyl-5-(trifluoromethyl)-1H-benzimidazolium
C27H29F6N4+
3-[(2E)-2-[(E)-3-[1-(3-Acetyloxypropyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-2-yl]prop-2-enylidene]-5,6-dichloro-3-ethylbenzimidazol-1-yl]propyl acetate iodide chemical structure, C31H35Cl4IN4O4, CAS 51829-30-2
3-[(2E)-2-[(E)-3-[1-(3-Acetyloxypropyl)-5,6-dichloro-3-ethylbenzimidazol-1-ium-2-yl]prop-2-enylidene]-5,6-dichloro-3-ethylbenzimidazol-1-yl]propyl acetate iodide
CAS 51829-30-2C31H35Cl4IN4O4
5-Chloro-2-(3-(5-chloro-1-ethyl-1,3-dihydro-3-methyl-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-methyl-1H-benzimidazolium chloride chemical structure, C23H25Cl3N4, CAS 93857-68-2
5-Chloro-2-(3-(5-chloro-1-ethyl-1,3-dihydro-3-methyl-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-methyl-1H-benzimidazolium chloride
CAS 93857-68-2C23H25Cl3N4
5-Chloro-2-(3-(5-chloro-1-ethyl-1,3-dihydro-3-methyl-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-methyl-1H-benzimidazolium iodide chemical structure, C23H25Cl2IN4, CAS 93857-67-1
5-Chloro-2-(3-(5-chloro-1-ethyl-1,3-dihydro-3-methyl-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-methyl-1H-benzimidazolium iodide
CAS 93857-67-1C23H25Cl2IN4
3-(4-((Acetylamino)sulphonyl)butyl)-5-cyano-2-(3-(5-cyano-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-1H-benzimidazolium bromide chemical structure, C31H36BrN7O3S, CAS 33625-61-5
3-(4-((Acetylamino)sulphonyl)butyl)-5-cyano-2-(3-(5-cyano-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-1H-benzimidazolium bromide
CAS 33625-61-5C31H36BrN7O3S
3-(2-(Acetoxy)ethyl)-2-(3-(3-(2-(acetoxy)ethyl)-5-cyano-1-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl)-5-cyano-1-ethyl-1H-benzimidazolium bromide chemical structure, C31H33BrN6O4, CAS 53132-01-7
3-(2-(Acetoxy)ethyl)-2-(3-(3-(2-(acetoxy)ethyl)-5-cyano-1-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl)-5-cyano-1-ethyl-1H-benzimidazolium bromide
CAS 53132-01-7C31H33BrN6O4
1-(3-(Acetoxy)propyl)-2-(3-(1-(3-(acetoxy)propyl)-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl)-5,6-dichloro-3-ethyl-1H-benzimidazolium iodide chemical structure, C31H35Cl4IN4O4
1-(3-(Acetoxy)propyl)-2-(3-(1-(3-(acetoxy)propyl)-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl)-5,6-dichloro-3-ethyl-1H-benzimidazolium iodide
C31H35Cl4IN4O4
4-[5,6-Dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate chemical structure, C29H34Cl4N4O6S2
4-[5,6-Dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate
C29H34Cl4N4O6S2