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Murcko scaffold

Ring system with 4 rings and 27 atoms

18 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
27
Chemicals
18
With full pages
3
Scaffold SMILES

c1ccc(Nc2ccnc3cc(OCCCN4CCNCC4)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(Nc2ccnc3cc(OCCCN4CCNCC4)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 18 of 18 chemicals

Bosutinib chemical structure, C26H29Cl2N5O3, CAS 380843-75-4
Bosutinib
CAS 380843-75-4C26H29Cl2N5O3
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-[3-(4-ethyl-1-piperazinyl)propoxy]-6-methoxy-3-quinolinecarbonitrile chemical structure, C27H31Cl2N5O3, CAS 380843-76-5
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-[3-(4-ethyl-1-piperazinyl)propoxy]-6-methoxy-3-quinolinecarbonitrile
CAS 380843-76-5C27H31Cl2N5O3
N-Desmethyl bosutinib chemical structure, C25H27Cl2N5O3, CAS 380843-81-2
N-Desmethyl bosutinib
CAS 380843-81-2C25H27Cl2N5O3
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-ethoxy-7-[3-(4-ethylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile chemical structure, C28H33Cl2N5O3, CAS 753005-92-4
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-ethoxy-7-[3-(4-ethylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CAS 753005-92-4C28H33Cl2N5O3
Bosutinib monohydrate chemical structure, C26H31Cl2N5O4, CAS 918639-08-4
Bosutinib monohydrate
CAS 918639-08-4C26H31Cl2N5O4
Bosutinib methanoate chemical structure, C27H33Cl2N5O4, CAS 918639-10-8
Bosutinib methanoate
CAS 918639-10-8C27H33Cl2N5O4
Bosutinib impurity 18 chemical structure, C25H27Cl2N5O3, CAS 2468737-92-8
Bosutinib impurity 18
CAS 2468737-92-8C25H27Cl2N5O3
4-[(3,5-Dichloro-4-Methoxyphenyl)amino]-6-Methoxy-7-[3-(4-Methylpiperazin-1-Yl)propoxy]quinoline-3-Carbonitrile chemical structure, C26H29Cl2N5O3, CAS 1391063-17-4
4-[(3,5-Dichloro-4-Methoxyphenyl)amino]-6-Methoxy-7-[3-(4-Methylpiperazin-1-Yl)propoxy]quinoline-3-Carbonitrile
CAS 1391063-17-4C26H29Cl2N5O3
Bosutinib N-oxide chemical structure, C26H29Cl2N5O4, CAS 2468737-96-2
Bosutinib N-oxide
CAS 2468737-96-2C26H29Cl2N5O4
Bosutinib-d8 chemical structure, C26H29Cl2N5O3, CAS 2733145-45-2
Bosutinib-d8
CAS 2733145-45-2C26H29Cl2N5O3
PF-05883083-00, >=98% (Hplc) chemical structure, C26H30ClN5O3, CAS 1882099-13-9
PF-05883083-00, >=98% (Hplc)
CAS 1882099-13-9C26H30ClN5O3
4-((2,4-Dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile hexahydrate chemical structure, C26H41Cl2N5O9, CAS 1384969-66-7
4-((2,4-Dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinoline-3-carbonitrile hexahydrate
CAS 1384969-66-7C26H41Cl2N5O9
tert-Butyl 4-[3-[3-cyano-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinolin-7-yl]oxypropyl]piperazine-1-carboxylate chemical structure, C30H35Cl2N5O5, CAS 1613270-82-8
tert-Butyl 4-[3-[3-cyano-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinolin-7-yl]oxypropyl]piperazine-1-carboxylate
CAS 1613270-82-8C30H35Cl2N5O5
5,6-Dihydroxy-Des(dimethoxy) Bosutinib chemical structure, C24H25Cl2N5O3, CAS 2468737-94-0
5,6-Dihydroxy-Des(dimethoxy) Bosutinib
CAS 2468737-94-0C24H25Cl2N5O3
4-(4-Chloro-3-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile chemical structure, C26H30ClN5O3, CAS 1882099-55-9
4-(4-Chloro-3-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CAS 1882099-55-9C26H30ClN5O3
Deuterated bosutinib chemical structure, C26H29Cl2N5O3, CAS 3085640-08-7
Deuterated bosutinib
CAS 3085640-08-7C26H29Cl2N5O3
4-(2,5-Dichloro-4-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile chemical structure, C26H29Cl2N5O3, CAS 1882106-51-5
4-(2,5-Dichloro-4-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CAS 1882106-51-5C26H29Cl2N5O3
4-(2,4-Dichloro-3-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile chemical structure, C26H29Cl2N5O3, CAS 1882104-96-2
4-(2,4-Dichloro-3-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CAS 1882104-96-2C26H29Cl2N5O3