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Murcko scaffold

Ring system with 3 rings and 16 atoms

17 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 16
Chemicals: 17
With full pages: 11

Scaffold SMILES

O=C1CCCC2=C1C(c1cccs1)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(c1cccs1)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 17 of 17 chemicals

2-Amino-5-oxo-4-(2-thienyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C14H12N2O2S, CAS 312510-11-5

2-Amino-5-oxo-4-(2-thienyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

CAS 312510-11-5C₁₄H₁₂N₂O₂S

2-Amino-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C16H16N2O2S, CAS 153790-54-6

2-Amino-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

CAS 153790-54-6C₁₆H₁₆N₂O₂S

2-Amino-7-methyl-5-oxo-4-(2-thienyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C15H14N2O2S, CAS 331856-86-1

2-Amino-7-methyl-5-oxo-4-(2-thienyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

CAS 331856-86-1C₁₅H₁₄N₂O₂S

2-Amino-4-(5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile chemical structure, C15H14N2O2S, CAS 293758-96-0

2-Amino-4-(5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile

CAS 293758-96-0C₁₅H₁₄N₂O₂S

2-Amino-4-(5-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile chemical structure, C20H24N2O2S, CAS 329207-98-9

2-Amino-4-(5-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile

CAS 329207-98-9C₂₀H₂₄N₂O₂S

Ethyl 2-amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C16H17NO4S, CAS 329934-92-1

Ethyl 2-amino-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

CAS 329934-92-1C₁₆H₁₇NO₄S

Ethyl 2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C17H18BrNO4S, CAS 5649-70-7

Ethyl 2-amino-4-(4-bromo-5-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

CAS 5649-70-7C₁₇H₁₈BrNO₄S

2-Amino-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile chemical structure, C17H18N2O2S, CAS 303177-03-9

2-Amino-7,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile

CAS 303177-03-9C₁₇H₁₈N₂O₂S

Ethyl 2-amino-4-(5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C17H19NO4S, CAS 312267-14-4

Ethyl 2-amino-4-(5-methylthiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

CAS 312267-14-4C₁₇H₁₉NO₄S

2-Amino-4-(5-butyl-4-nitrothiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile chemical structure, C20H23N3O4S, CAS 329693-61-0

2-Amino-4-(5-butyl-4-nitrothiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile

CAS 329693-61-0C₂₀H₂₃N₃O₄S

2-Amino-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile chemical structure, C18H20N2O2S, CAS 329693-55-2

2-Amino-4-(5-ethylthiophen-2-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile

CAS 329693-55-2C₁₈H₂₀N₂O₂S

2-Amino-4-(4-bromo-5-ethyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C16H15BrN2O2S, CAS 329693-53-0

2-Amino-4-(4-bromo-5-ethyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

CAS 329693-53-0C₁₆H₁₅BrN₂O₂S

Methyl 2-amino-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C17H19NO4S, CAS 312271-48-0

Methyl 2-amino-7,7-dimethyl-5-oxo-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

CAS 312271-48-0C₁₇H₁₉NO₄S

2-Amino-7,7-dimethyl-4-(3-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile chemical structure, C17H18N2O2S, CAS 303051-93-6

2-Amino-7,7-dimethyl-4-(3-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

CAS 303051-93-6C₁₇H₁₈N₂O₂S

2-Amino-4-(3-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile chemical structure, C15H14N2O2S, CAS 340809-33-8

2-Amino-4-(3-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile

CAS 340809-33-8C₁₅H₁₄N₂O₂S

Ethyl 2-amino-4-(3-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate chemical structure, C17H19NO4S, CAS 329934-93-2

Ethyl 2-amino-4-(3-methyl-2-thienyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

CAS 329934-93-2C₁₇H₁₉NO₄S

2-Amino-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile chemical structure, C16H15N3O4S, CAS 299200-82-1

2-Amino-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile

CAS 299200-82-1C₁₆H₁₅N₃O₄S