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Murcko scaffold

Ring system with 5 rings and 33 atoms

28 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
33
Chemicals
28
With full pages
8
Scaffold SMILES

O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(Nc2nccc(-c3cccnc3)n2)c1

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 O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(Nc2nccc(-c3cccnc3)n2)c1

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 28 of 28 chemicals

Nilotinib chemical structure, C28H22F3N7O, CAS 641571-10-0
Nilotinib
CAS 641571-10-0C28H22F3N7O
Nilotinib regio isomer chemical structure, C28H22F3N7O, CAS 641571-15-5
Nilotinib regio isomer
CAS 641571-15-5C28H22F3N7O
4-Methyl-N-(3-(2-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzamide chemical structure, C28H22F3N7O, CAS 641571-05-3
4-Methyl-N-(3-(2-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzamide
CAS 641571-05-3C28H22F3N7O
Nilotinib hydrochloride anhydrous chemical structure, C28H23ClF3N7O, CAS 923288-95-3
Nilotinib hydrochloride anhydrous
CAS 923288-95-3C28H23ClF3N7O
Nilotinib hydrochloride monohydrate chemical structure, C28H25ClF3N7O2, CAS 923288-90-8
Nilotinib hydrochloride monohydrate
CAS 923288-90-8C28H25ClF3N7O2
Nilotinib-d3 chemical structure, C28H22F3N7O, CAS 1215678-43-5
Nilotinib-d3
CAS 1215678-43-5C28H22F3N7O
Nilotinib dihydrochloride dihydrate chemical structure, C28H28Cl2F3N7O3, CAS 1277165-20-4
Nilotinib dihydrochloride dihydrate
CAS 1277165-20-4C28H28Cl2F3N7O3
4-Methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)benzamide dihydrochloride chemical structure, C28H24Cl2F3N7O, CAS 1277165-19-1
4-Methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyridin-3-ylpyrimidin-2-yl)amino)benzamide dihydrochloride
CAS 1277165-19-1C28H24Cl2F3N7O
4-Methyl-N-[3-(4-methyl-1H-imidazole-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidnyl]amino]-benzamide tartarate chemical structure, C32H28F3N7O7, CAS 1353151-37-7
4-Methyl-N-[3-(4-methyl-1H-imidazole-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidnyl]amino]-benzamide tartarate
CAS 1353151-37-7C32H28F3N7O7
Nilotinib hydrobromide chemical structure, C28H23BrF3N7O, CAS 1353151-22-0
Nilotinib hydrobromide
CAS 1353151-22-0C28H23BrF3N7O
Nilotinib hydrochloride dihydrate chemical structure, C28H27ClF3N7O3, CAS 923289-71-8
Nilotinib hydrochloride dihydrate
CAS 923289-71-8C28H27ClF3N7O3
Nilotinib N-oxide chemical structure, C28H22F3N7O2, CAS 1246817-85-5
Nilotinib N-oxide
CAS 1246817-85-5C28H22F3N7O2
4-Desmethyl-4-ethylimidazolyl Nilotinib chemical structure, C29H24F3N7O, CAS 2119583-24-1
4-Desmethyl-4-ethylimidazolyl Nilotinib
CAS 2119583-24-1C29H24F3N7O
N-(3-(2,4-Dimethyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide chemical structure, C29H24F3N7O, CAS 2119583-25-2
N-(3-(2,4-Dimethyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide
CAS 2119583-25-2C29H24F3N7O
N-[3-(1H-Imidazol-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]Benzamide chemical structure, C27H20F3N7O, CAS 2119583-26-3
N-[3-(1H-Imidazol-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]Benzamide
CAS 2119583-26-3C27H20F3N7O
1-(3-((4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoyl)amino)-5-(trifluoromethyl)phenyl)-1H-imidazole-4-carboxylic acid chemical structure, C28H20F3N7O3, CAS 1807607-72-2
1-(3-((4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoyl)amino)-5-(trifluoromethyl)phenyl)-1H-imidazole-4-carboxylic acid
CAS 1807607-72-2C28H20F3N7O3
Nilotinib metabolite 2 chemical structure, C28H22F3N7O2, CAS 1807606-80-9
Nilotinib metabolite 2
CAS 1807606-80-9C28H22F3N7O2
Nilotinib metabolite 4 chemical structure, C28H22F3N7O2, CAS 1807608-52-1
Nilotinib metabolite 4
CAS 1807608-52-1C28H22F3N7O2
Nilotinib-d6 chemical structure, C28H22F3N7O, CAS 1268356-17-7
Nilotinib-d6
CAS 1268356-17-7C28H22F3N7O
3-((5-Chloro-4-(pyridin-3-yl)pyrimidin-2-yl)amino)-4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)benzamide chemical structure, C28H21ClF3N7O, CAS 2469039-94-7
3-((5-Chloro-4-(pyridin-3-yl)pyrimidin-2-yl)amino)-4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CAS 2469039-94-7C28H21ClF3N7O
Nilotinib acid chemical structure, C30H24F3N7O3, CAS 2748500-05-0
Nilotinib acid
CAS 2748500-05-0C30H24F3N7O3
Nilotinib laurylsulfate chemical structure, C40H48F3N7O5S, CAS 2634723-49-0
Nilotinib laurylsulfate
CAS 2634723-49-0C40H48F3N7O5S
Nilotinib 3-Imidazolyl N-oxide chemical structure, C28H22F3N7O2, CAS 2139382-75-3
Nilotinib 3-Imidazolyl N-oxide
CAS 2139382-75-3C28H22F3N7O2
Nilotinib hydrochloride sesquihydrate chemical structure, C56H52Cl2F6N14O5, CAS 2727104-79-0
Nilotinib hydrochloride sesquihydrate
CAS 2727104-79-0C56H52Cl2F6N14O5