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Murcko scaffold

Ring system with 3 rings and 16 atoms

43 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
43
With full pages
5
Scaffold SMILES

O=C1CCCC2=C1C(c1cn[nH]c1)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(c1cn[nH]c1)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 43 of 43 chemicals

Ethyl 2-amino-4-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C21H29N3O4, CAS 492426-99-0
Ethyl 2-amino-4-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
CAS 492426-99-0C21H29N3O4
2-Amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C18H22N4O2, CAS 492425-33-9
2-Amino-4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 492425-33-9C18H22N4O2
2-Amino-4-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H20N4O2, CAS 492426-93-4
2-Amino-4-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 492426-93-4C17H20N4O2
2-Amino-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C18H22N4O2, CAS 492425-29-3
2-Amino-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 492425-29-3C18H22N4O2
2-Amino-4-(1-ethyl-5-methylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile chemical structure, C16H18N4O2, CAS 492425-26-0
2-Amino-4-(1-ethyl-5-methylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS 492425-26-0C16H18N4O2
2-Amino-4-(1-ethyl-3-methylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile chemical structure, C16H18N4O2, CAS 514816-47-8
2-Amino-4-(1-ethyl-3-methylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CAS 514816-47-8C16H18N4O2
2-Amino-7,7-dimethyl-5-oxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C18H22N4O2, CAS 492426-92-3
2-Amino-7,7-dimethyl-5-oxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 492426-92-3C18H22N4O2
2-Amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C15H16N4O2, CAS 492425-50-0
2-Amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 492425-50-0C15H16N4O2
2-Amino-5-oxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C16H18N4O2, CAS 492426-95-6
2-Amino-5-oxo-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 492426-95-6C16H18N4O2
2-Amino-4-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C19H24N4O2, CAS 492426-89-8
2-Amino-4-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 492426-89-8C19H24N4O2
2-Amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H20N4O2, CAS 492425-48-6
2-Amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 492425-48-6C17H20N4O2
2-Amino-4-(1-isopropyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-3-yl cyanide chemical structure, C16H18N4O2, CAS 1855906-84-1
2-Amino-4-(1-isopropyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromen-3-yl cyanide
CAS 1855906-84-1C16H18N4O2
2-Amino-4-(1-isobutyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H20N4O2, CAS 1855899-56-7
2-Amino-4-(1-isobutyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 1855899-56-7C17H20N4O2
2-Amino-4-(1-isopropyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-3-yl cyanide chemical structure, C18H22N4O2, CAS 1855890-76-4
2-Amino-4-(1-isopropyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-3-yl cyanide
CAS 1855890-76-4C18H22N4O2
2-Amino-4-(1-(2-fluoroethyl)-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H19FN4O2, CAS 1855890-23-1
2-Amino-4-(1-(2-fluoroethyl)-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 1855890-23-1C17H19FN4O2
2-Amino-4-(1-isopropyl-3-methyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C19H24N4O2, CAS 1855890-09-3
2-Amino-4-(1-isopropyl-3-methyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 1855890-09-3C19H24N4O2
2-Amino-4-(1-isopropyl-5-methyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C19H24N4O2, CAS 1855889-33-6
2-Amino-4-(1-isopropyl-5-methyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 1855889-33-6C19H24N4O2
2-Amino-4-(1-(sec-butyl)-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C19H24N4O2, CAS 1855889-30-3
2-Amino-4-(1-(sec-butyl)-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 1855889-30-3C19H24N4O2
2-Amino-4-(1-(2,2-difluoroethyl)-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H18F2N4O2, CAS 1855889-25-6
2-Amino-4-(1-(2,2-difluoroethyl)-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 1855889-25-6C17H18F2N4O2
2-Amino-4-(1-(2,2-difluoroethyl)-3-methyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C18H20F2N4O2, CAS 1855888-68-4
2-Amino-4-(1-(2,2-difluoroethyl)-3-methyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 1855888-68-4C18H20F2N4O2
2-Amino-7,7-dimethyl-4-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H17F3N4O2, CAS 1855890-85-5
2-Amino-7,7-dimethyl-4-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 1855890-85-5C17H17F3N4O2
2-Amino-7,7-dimethyl-4-(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H17F3N4O2, CAS 1855888-78-6
2-Amino-7,7-dimethyl-4-(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 1855888-78-6C17H17F3N4O2
2-Amino-4-(1-isobutyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C19H24N4O2, CAS 1855900-01-4
2-Amino-4-(1-isobutyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 1855900-01-4C19H24N4O2
2-Amino-4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C15H16N4O2, CAS 1855899-85-2
2-Amino-4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CAS 1855899-85-2C15H16N4O2