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Murcko scaffold

Ring system with 4 rings and 26 atoms

15 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
15
With full pages
2
Scaffold SMILES

c1ccc(Nc2ccnc(Nc3ccc(C4CCNCC4)cc3)n2)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(Nc2ccnc(Nc3ccc(C4CCNCC4)cc3)n2)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 15 of 15 chemicals

5-Chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]pyrimidine-2,4-diamine chemical structure, C25H31ClN5O2P, CAS 1373212-01-1
5-Chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]pyrimidine-2,4-diamine
CAS 1373212-01-1C25H31ClN5O2P
Ceritinib chemical structure, C28H36ClN5O3S, CAS 1032900-25-6
Ceritinib
CAS 1032900-25-6C28H36ClN5O3S
5-Chloro-N2-(2-isopropoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine chemical structure, C29H38ClN5O3S, CAS 1032900-26-7
5-Chloro-N2-(2-isopropoxy-5-methyl-4-(1-methylpiperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine
CAS 1032900-26-7C29H38ClN5O3S
1,1-Dimethylethyl 4-(4-((5-chloro-4-((2-((1-methylethyl)sulfonyl)phenyl)amino)-2-pyrimidinyl)amino)-2-methyl-5-(1-methylethoxy)phenyl)-1-piperidinecarboxylate chemical structure, C33H44ClN5O5S, CAS 1032903-64-2
1,1-Dimethylethyl 4-(4-((5-chloro-4-((2-((1-methylethyl)sulfonyl)phenyl)amino)-2-pyrimidinyl)amino)-2-methyl-5-(1-methylethoxy)phenyl)-1-piperidinecarboxylate
CAS 1032903-64-2C33H44ClN5O5S
Ceritinib dihydrochloride chemical structure, C28H38Cl3N5O3S, CAS 1380575-43-8
Ceritinib dihydrochloride
CAS 1380575-43-8C28H38Cl3N5O3S
5-Chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyriMidine-2,4-diaMine hydrochloride chemical structure, C28H37Cl2N5O3S, CAS 1190399-48-4
5-Chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyriMidine-2,4-diaMine hydrochloride
CAS 1190399-48-4C28H37Cl2N5O3S
Ceritinib D7 chemical structure, C28H36ClN5O3S, CAS 1632484-77-5
Ceritinib D7
CAS 1632484-77-5C28H36ClN5O3S
Ceritinib impurity 13 chemical structure, C28H37N5O3S, CAS 2133028-28-9
Ceritinib impurity 13
CAS 2133028-28-9C28H37N5O3S
5-Chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfinyl)phenyl)pyrimidine-2,4-diamine chemical structure, C28H36ClN5O2S, CAS 2133028-26-7
5-Chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfinyl)phenyl)pyrimidine-2,4-diamine
CAS 2133028-26-7C28H36ClN5O2S
Alk-IN-6 chemical structure, C26H32ClN5O3S, CAS 2055821-33-3
Alk-IN-6
CAS 2055821-33-3C26H32ClN5O3S
5-Chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-5-methyl-4-(piperidin-4-yl)phenyl)pyrimidine-2,4-diamine chemical structure, C26H32ClN5O3S, CAS 1807448-17-4
5-Chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-5-methyl-4-(piperidin-4-yl)phenyl)pyrimidine-2,4-diamine
CAS 1807448-17-4C26H32ClN5O3S
5-[4-[4-[[5-Chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-5-oxopentanoic acid chemical structure, C33H42ClN5O6S, CAS 2162120-74-1
5-[4-[4-[[5-Chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-5-oxopentanoic acid
CAS 2162120-74-1C33H42ClN5O6S
Con B-1 chemical structure, C38H52ClN7O6S, CAS 2415537-51-6
Con B-1
CAS 2415537-51-6C38H52ClN7O6S
tert-Butyl 2-(4-(4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-5-isopropoxy-2-methylphenyl)piperidin-1-yl)acetate chemical structure, C34H46ClN5O5S, CAS 2230077-12-8
tert-Butyl 2-(4-(4-((5-chloro-4-((2-(isopropylsulfonyl)phenyl)amino)pyrimidin-2-yl)amino)-5-isopropoxy-2-methylphenyl)piperidin-1-yl)acetate
CAS 2230077-12-8C34H46ClN5O5S
Orb3210975 chemical structure, C30H44ClN5O9S3, CAS 2055376-74-2
Orb3210975
CAS 2055376-74-2C30H44ClN5O9S3