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Murcko scaffold

Ring system with 4 rings and 25 atoms

14 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
14
With full pages
1
Scaffold SMILES

O=C1CCCC2=C1C(c1ccc(OCc3ccccc3)cc1)C=CO2

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=C1CCCC2=C1C(c1ccc(OCc3ccccc3)cc1)C=CO2

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 14 of 14 chemicals

2-Amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile chemical structure, C24H21ClN2O4, CAS 380647-29-0
2-Amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS 380647-29-0C24H21ClN2O4
2-Amino-4-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile chemical structure, C26H25N3O6, CAS 380647-27-8
2-Amino-4-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CAS 380647-27-8C26H25N3O6
2-Amino-4-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile chemical structure, C25H23ClN2O4, CAS 488088-45-5
2-Amino-4-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS 488088-45-5C25H23ClN2O4
2-Amino-4-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile chemical structure, C25H21N3O4, CAS 663203-37-0
2-Amino-4-[4-[(2-cyanophenyl)methoxy]-3-methoxyphenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS 663203-37-0C25H21N3O4
2-Amino-4-[4-[(3-nitrophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile chemical structure, C23H19N3O5, CAS 663204-60-2
2-Amino-4-[4-[(3-nitrophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS 663204-60-2C23H19N3O5
2-Amino-4-(4-(benzyloxy)-3-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C26H26N2O4, CAS 337497-92-4
2-Amino-4-(4-(benzyloxy)-3-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 337497-92-4C26H26N2O4
2-Amino-4-(4-(benzyloxy)-3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C24H22N2O4, CAS 337497-93-5
2-Amino-4-(4-(benzyloxy)-3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 337497-93-5C24H22N2O4
2-Amino-4-(4-((2-chlorobenzyl)oxy)-3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C24H21ClN2O4, CAS 315245-11-5
2-Amino-4-(4-((2-chlorobenzyl)oxy)-3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 315245-11-5C24H21ClN2O4
2-Amino-4-[4-(benzyloxy)-3-ethoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C27H28N2O4, CAS 337498-99-4
2-Amino-4-[4-(benzyloxy)-3-ethoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 337498-99-4C27H28N2O4
2-Amino-4-(3-methoxy-4-((4-methylbenzyl)oxy)phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C25H24N2O4, CAS 337505-86-9
2-Amino-4-(3-methoxy-4-((4-methylbenzyl)oxy)phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 337505-86-9C25H24N2O4
2-Amino-4-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C26H25FN2O4, CAS 398136-22-6
2-Amino-4-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 398136-22-6C26H25FN2O4
2-Amino-5,6,7,8-tetrahydro-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxo-4H-1-benzopyran-3-carbonitrile chemical structure, C27H28N2O4, CAS 438194-63-9
2-Amino-5,6,7,8-tetrahydro-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-5-oxo-4H-1-benzopyran-3-carbonitrile
CAS 438194-63-9C27H28N2O4
2-Amino-4-[4-(benzyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C25H24N2O3, CAS 300732-91-6
2-Amino-4-[4-(benzyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 300732-91-6C25H24N2O3
2-Amino-4-[4-(benzyloxy)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C23H20N2O3, CAS 313379-79-2
2-Amino-4-[4-(benzyloxy)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 313379-79-2C23H20N2O3