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Murcko scaffold

Ring system with 3 rings and 12 atoms

24 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
12
Chemicals
24
With full pages
5
Scaffold SMILES

c1nc2cc3c(cc2[nH]1)OCO3

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 c1nc2cc3c(cc2[nH]1)OCO3

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 24 of 24 chemicals

2,2-Difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole chemical structure, C8H4F2N2O2, CAS 188028-35-5
2,2-Difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
CAS 188028-35-5C8H4F2N2O2
6-Chloro-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole chemical structure, C8H3ClF2N2O2, CAS 188028-13-9
6-Chloro-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
CAS 188028-13-9C8H3ClF2N2O2
11-Bromo-5,5-difluoro-4,6-dioxa-10,12-diazatricyclo[7.3.0.03,]dodeca-1,3(7),8,10-tetraene chemical structure, C8H3BrF2N2O2, CAS 188028-30-0
11-Bromo-5,5-difluoro-4,6-dioxa-10,12-diazatricyclo[7.3.0.03,]dodeca-1,3(7),8,10-tetraene
CAS 188028-30-0C8H3BrF2N2O2
6-Methyl-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]imidazole chemical structure, C9H8N2O2, CAS 861784-02-3
6-Methyl-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]imidazole
CAS 861784-02-3C9H8N2O2
4,6-Dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-amine chemical structure, C8H7N3O2, CAS 24370-21-6
4,6-Dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-amine
CAS 24370-21-6C8H7N3O2
5H-1,3-Dioxolo[4,5-f]benzimidazole-5-ethanol, 6-methyl- chemical structure, C11H12N2O3, CAS 1267592-61-9
5H-1,3-Dioxolo[4,5-f]benzimidazole-5-ethanol, 6-methyl-
CAS 1267592-61-9C11H12N2O3
5H-1,3-Dioxolo[4,5-f]benzimidazole, 4,8-dimethoxy- chemical structure, C10H10N2O4, CAS 1869989-82-1
5H-1,3-Dioxolo[4,5-f]benzimidazole, 4,8-dimethoxy-
CAS 1869989-82-1C10H10N2O4
2-[12-(2,2-Difluoroethyl)-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl]ethan-1-amine dihydrochloride chemical structure, C12H15Cl2F2N3O2, CAS 2770359-13-0
2-[12-(2,2-Difluoroethyl)-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl]ethan-1-amine dihydrochloride
CAS 2770359-13-0C12H15Cl2F2N3O2
2-[12-(2,2-Difluoroethyl)-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl]ethan-1-amine chemical structure, C12H13F2N3O2, CAS 2770359-12-9
2-[12-(2,2-Difluoroethyl)-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl]ethan-1-amine
CAS 2770359-12-9C12H13F2N3O2
2-{12-[3-(Dimethylamino)propyl]-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1(9),2,7,10-tetraen-11-yl}ethan-1-amine chemical structure, C15H22N4O2, CAS 2770368-57-3
2-{12-[3-(Dimethylamino)propyl]-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1(9),2,7,10-tetraen-11-yl}ethan-1-amine
CAS 2770368-57-3C15H22N4O2
2-{12-[3-(Dimethylamino)propyl]-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl}ethan-1-amine trihydrochloride chemical structure, C15H25Cl3N4O2, CAS 2770368-58-4
2-{12-[3-(Dimethylamino)propyl]-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl}ethan-1-amine trihydrochloride
CAS 2770368-58-4C15H25Cl3N4O2
2-[12-(2-Methoxyethyl)-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl]ethan-1-aminedihydrochloride chemical structure, C13H19Cl2N3O3, CAS 2751610-65-6
2-[12-(2-Methoxyethyl)-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl]ethan-1-aminedihydrochloride
CAS 2751610-65-6C13H19Cl2N3O3
2-[12-(2-Methoxyethyl)-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl]ethan-1-amine chemical structure, C13H17N3O3, CAS 2751610-64-5
2-[12-(2-Methoxyethyl)-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl]ethan-1-amine
CAS 2751610-64-5C13H17N3O3
2-{4,6-Dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl}ethan-1-amine dihydrochloride chemical structure, C10H13Cl2N3O2, CAS 2680542-79-2
2-{4,6-Dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl}ethan-1-amine dihydrochloride
CAS 2680542-79-2C10H13Cl2N3O2
2-{4,6-Dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl}ethan-1-amine chemical structure, C10H11N3O2, CAS 933704-94-0
2-{4,6-Dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl}ethan-1-amine
CAS 933704-94-0C10H11N3O2
2-(4,6-Dioxa-10,12-diazatricyclo(7.3.0.0,3,7)dodeca-1,3(7),8,10-tetraen-11-yl)ethan-1-amine hydrochloride chemical structure, C10H12ClN3O2, CAS 2680527-86-8
2-(4,6-Dioxa-10,12-diazatricyclo(7.3.0.0,3,7)dodeca-1,3(7),8,10-tetraen-11-yl)ethan-1-amine hydrochloride
CAS 2680527-86-8C10H12ClN3O2
2-{12-[2-(2-Methoxyethoxy)ethyl]-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1(9),2,7,10-tetraen-11-yl}ethan-1-amine dihydrochloride chemical structure, C15H23Cl2N3O4, CAS 2763947-49-3
2-{12-[2-(2-Methoxyethoxy)ethyl]-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1(9),2,7,10-tetraen-11-yl}ethan-1-amine dihydrochloride
CAS 2763947-49-3C15H23Cl2N3O4
2-{12-[2-(Dimethylamino)ethyl]-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl}ethan-1-amine trihydrochloride chemical structure, C14H23Cl3N4O2, CAS 2768326-21-0
2-{12-[2-(Dimethylamino)ethyl]-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl}ethan-1-amine trihydrochloride
CAS 2768326-21-0C14H23Cl3N4O2
2-{12-[2-(Dimethylamino)ethyl]-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1(9),2,7,10-tetraen-11-yl}ethan-1-amine chemical structure, C14H20N4O2, CAS 2768326-20-9
2-{12-[2-(Dimethylamino)ethyl]-4,6-dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1(9),2,7,10-tetraen-11-yl}ethan-1-amine
CAS 2768326-20-9C14H20N4O2
(5H-[1,3]Dioxolo[4',5':4,5]benzo[1,2-d]imidazol-6-yl)difluoromethanesulfonyl fluoride chemical structure, C9H5F3N2O4S, CAS 2531398-84-0
(5H-[1,3]Dioxolo[4',5':4,5]benzo[1,2-d]imidazol-6-yl)difluoromethanesulfonyl fluoride
CAS 2531398-84-0C9H5F3N2O4S
(5-(2,2-Difluoroethyl)-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]imidazol-6-yl)methanamine dihydrochloride chemical structure, C11H13Cl2F2N3O2, CAS 2995293-13-3
(5-(2,2-Difluoroethyl)-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]imidazol-6-yl)methanamine dihydrochloride
CAS 2995293-13-3C11H13Cl2F2N3O2
(5-(2-(2-Methoxyethoxy)ethyl)-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]imidazol-6-yl)methanamine dihydrochloride chemical structure, C14H21Cl2N3O4, CAS 2955710-07-1
(5-(2-(2-Methoxyethoxy)ethyl)-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]imidazol-6-yl)methanamine dihydrochloride
CAS 2955710-07-1C14H21Cl2N3O4
1-{4,6-Dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl}methanamine dihydrochloride chemical structure, C9H11Cl2N3O2, CAS 2955709-64-3
1-{4,6-Dioxa-10,12-diazatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,10-tetraen-11-yl}methanamine dihydrochloride
CAS 2955709-64-3C9H11Cl2N3O2
(5-(2-(2-(2-Methoxyethoxy)ethoxy)ethyl)-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]imidazol-6-yl)methanamine dihydrochloride chemical structure, C16H25Cl2N3O5, CAS 2955709-91-6
(5-(2-(2-(2-Methoxyethoxy)ethoxy)ethyl)-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]imidazol-6-yl)methanamine dihydrochloride
CAS 2955709-91-6C16H25Cl2N3O5