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Murcko scaffold

Ring system with 2 rings and 12 atoms

162 chemicals on CompoundList share this ring system.

Rings
2
Scaffold atoms
12
Chemicals
162
With full pages
16
Scaffold SMILES

C1=CC(c2ccccc2)C=CO1

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 C1=CC(c2ccccc2)C=CO1

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 48 of 162 chemicals

5-Acetyl-2-amino-6-methyl-4-(4-nitrophenyl)-4H-pyran-3-carbonitrile chemical structure, C15H13N3O4, CAS 304868-17-5
5-Acetyl-2-amino-6-methyl-4-(4-nitrophenyl)-4H-pyran-3-carbonitrile
CAS 304868-17-5C15H13N3O4
Methyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate chemical structure, C15H13ClN2O3, CAS 176106-10-8
Methyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CAS 176106-10-8C15H13ClN2O3
Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate chemical structure, C16H15IN2O3, CAS 299198-05-3
Ethyl 6-amino-5-cyano-4-(3-iodophenyl)-2-methyl-4H-pyran-3-carboxylate
CAS 299198-05-3C16H15IN2O3
Ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate chemical structure, C16H15FN2O3, CAS 339060-50-3
Ethyl 6-amino-5-cyano-4-(2-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate
CAS 339060-50-3C16H15FN2O3
Ethyl 6-amino-5-cyano-4-(4-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate chemical structure, C18H19FN2O3, CAS 317843-65-5
Ethyl 6-amino-5-cyano-4-(4-fluorophenyl)-2-propyl-4H-pyran-3-carboxylate
CAS 317843-65-5C18H19FN2O3
Methyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate chemical structure, C15H14N2O3, CAS 176106-06-2
Methyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate
CAS 176106-06-2C15H14N2O3
Ethyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate chemical structure, C21H24N2O7, CAS 354554-28-2
Ethyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
CAS 354554-28-2C21H24N2O7
Methyl 6-amino-4-[3-(2-amino-2-oxoethoxy)phenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate chemical structure, C19H19N3O7, CAS 498536-39-3
Methyl 6-amino-4-[3-(2-amino-2-oxoethoxy)phenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate
CAS 498536-39-3C19H19N3O7
Ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate chemical structure, C19H19N3O7, CAS 294635-06-6
Ethyl (4S)-6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
CAS 294635-06-6C19H19N3O7
Ethyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate chemical structure, C17H15F3N2O3, CAS 304878-44-2
Ethyl 6-amino-5-cyano-2-methyl-4-[4-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
CAS 304878-44-2C17H15F3N2O3
Ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate chemical structure, C16H15ClN2O3, CAS 89809-77-8
Ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CAS 89809-77-8C16H15ClN2O3
5-Acetyl-2-amino-4-(4-methoxyphenyl)-6-methyl-4H-pyran-3-carbonitrile chemical structure, C16H16N2O3, CAS 105263-07-8
5-Acetyl-2-amino-4-(4-methoxyphenyl)-6-methyl-4H-pyran-3-carbonitrile
CAS 105263-07-8C16H16N2O3
5-Acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carbonitrile chemical structure, C15H14N2O2, CAS 89809-89-2
5-Acetyl-2-amino-6-methyl-4-phenyl-4H-pyran-3-carbonitrile
CAS 89809-89-2C15H14N2O2
Ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate chemical structure, C16H16N2O3, CAS 72568-47-9
Ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate
CAS 72568-47-9C16H16N2O3
Ethyl 6-amino-5-cyano-4-(4-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate chemical structure, C17H18N2O4, CAS 89809-76-7
Ethyl 6-amino-5-cyano-4-(4-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CAS 89809-76-7C17H18N2O4
Ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate chemical structure, C16H16N2O4, CAS 5154-59-6
Ethyl 6-amino-5-cyano-4-(4-hydroxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CAS 5154-59-6C16H16N2O4
Ethyl 6-amino-5-cyano-4-mesityl-2-methyl-4H-pyran-3-carboxylate chemical structure, C19H22N2O3, CAS 330656-38-7
Ethyl 6-amino-5-cyano-4-mesityl-2-methyl-4H-pyran-3-carboxylate
CAS 330656-38-7C19H22N2O3
5-Acetyl-2-amino-6-methyl-4-(2-nitrophenyl)-4H-pyran-3-carbonitrile chemical structure, C15H13N3O4, CAS 302913-96-8
5-Acetyl-2-amino-6-methyl-4-(2-nitrophenyl)-4H-pyran-3-carbonitrile
CAS 302913-96-8C15H13N3O4
5-Acetyl-2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4H-pyran-3-carbonitrile chemical structure, C16H16N2O4, CAS 364601-26-3
5-Acetyl-2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4H-pyran-3-carbonitrile
CAS 364601-26-3C16H16N2O4
Ethyl 6-amino-5-cyano-4-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate chemical structure, C17H18N2O4, CAS 72568-52-6
Ethyl 6-amino-5-cyano-4-(2-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CAS 72568-52-6C17H18N2O4
Ethyl 6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate chemical structure, C16H15N3O5, CAS 72568-53-7
Ethyl 6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate
CAS 72568-53-7C16H15N3O5
Ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate chemical structure, C16H15N3O5, CAS 72568-55-9
Ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate
CAS 72568-55-9C16H15N3O5
Ethyl 6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate chemical structure, C17H18N2O5, CAS 372970-06-4
Ethyl 6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CAS 372970-06-4C17H18N2O5
5-Acetyl-2-amino-4-(3-bromophenyl)-6-methyl-4H-pyran-3-carbonitrile chemical structure, C15H13BrN2O2, CAS 81829-56-3
5-Acetyl-2-amino-4-(3-bromophenyl)-6-methyl-4H-pyran-3-carbonitrile
CAS 81829-56-3C15H13BrN2O2