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Murcko scaffold

Ring system with 4 rings and 25 atoms

17 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
17
With full pages
3
Scaffold SMILES

c1ccc(Nc2ncnc3cc(OCC4CCNCC4)ccc23)cc1

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 c1ccc(Nc2ncnc3cc(OCC4CCNCC4)ccc23)cc1

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 17 of 17 chemicals

Vandetanib chemical structure, C22H24BrFN4O2, CAS 443913-73-3
Vandetanib
CAS 443913-73-3C22H24BrFN4O2
N-(4-Chloro-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine chemical structure, C22H24ClFN4O2, CAS 338991-92-7
N-(4-Chloro-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CAS 338991-92-7C22H24ClFN4O2
N-Desmethyl vandetanib chemical structure, C21H22BrFN4O2, CAS 338992-12-4
N-Desmethyl vandetanib
CAS 338992-12-4C21H22BrFN4O2
N-(4-Chloro-2,6-difluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine chemical structure, C21H21ClF2N4O2, CAS 338992-14-6
N-(4-Chloro-2,6-difluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
CAS 338992-14-6C21H21ClF2N4O2
AZM 475271 chemical structure, C23H27ClN4O3, CAS 476159-98-5
AZM 475271
CAS 476159-98-5C23H27ClN4O3
tert-Butyl 4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)piperidine-1-carboxylate chemical structure, C26H30BrFN4O4, CAS 338992-20-4
tert-Butyl 4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)piperidine-1-carboxylate
CAS 338992-20-4C26H30BrFN4O4
Vandetanib trifluoroacetate chemical structure, C24H25BrF4N4O4, CAS 338992-53-3
Vandetanib trifluoroacetate
CAS 338992-53-3C24H25BrF4N4O4
Vandetanib hydrochloride chemical structure, C22H25BrClFN4O2, CAS 524722-52-9
Vandetanib hydrochloride
CAS 524722-52-9C22H25BrClFN4O2
Vandetanib-d6 chemical structure, C22H24BrFN4O2, CAS 1174683-49-8
Vandetanib-d6
CAS 1174683-49-8C22H24BrFN4O2
O-Demethyl vandetanib chemical structure, C21H22BrFN4O2, CAS 910298-60-1
O-Demethyl vandetanib
CAS 910298-60-1C21H22BrFN4O2
O-Demethyl vandetanib-d4 chemical structure, C21H22BrFN4O2, CAS 1346599-97-0
O-Demethyl vandetanib-d4
CAS 1346599-97-0C21H22BrFN4O2
N-Demethyl vandetanib-d4 chemical structure, C21H22BrFN4O2, CAS 1346603-93-7
N-Demethyl vandetanib-d4
CAS 1346603-93-7C21H22BrFN4O2
Hydroxy vandetanib chemical structure, C22H24BrFN4O3, CAS 910298-61-2
Hydroxy vandetanib
CAS 910298-61-2C22H24BrFN4O3
N-Oxide vandetanib chemical structure, C22H24BrFN4O3, CAS 1797030-22-8
N-Oxide vandetanib
CAS 1797030-22-8C22H24BrFN4O3
tert-Butyl 4-(((4-((4-chloro-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)piperidine-1-carboxylate chemical structure, C26H30ClFN4O4, CAS 1312806-24-8
tert-Butyl 4-(((4-((4-chloro-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)piperidine-1-carboxylate
CAS 1312806-24-8C26H30ClFN4O4
Vandetanib fumarate chemical structure, C26H28BrFN4O6, CAS 338992-00-0
Vandetanib fumarate
CAS 338992-00-0C26H28BrFN4O6
N-(4-Butoxy-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine chemical structure, C26H33FN4O3, CAS 2281917-66-4
N-(4-Butoxy-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CAS 2281917-66-4C26H33FN4O3