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Murcko scaffold

Ring system with 3 rings and 18 atoms

14 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
14
With full pages
6
Scaffold SMILES

O=C(Nc1cc2c(s1)CCCCC2)c1ccco1

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=C(Nc1cc2c(s1)CCCCC2)c1ccco1

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

N-(3-Carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)furan-2-carboxamide chemical structure, C15H16N2O3S, CAS 353785-46-3
N-(3-Carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)furan-2-carboxamide
CAS 353785-46-3C15H16N2O3S
Compound 1 (PMID: 20080612) chemical structure, C17H19NO4S, CAS 301322-12-3
Compound 1 (PMID: 20080612)
CAS 301322-12-3C17H19NO4S
2-(2-Furoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid chemical structure, C15H15NO4S, CAS 315679-71-1
2-(2-Furoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CAS 315679-71-1C15H15NO4S
N-(3-Carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-methylfuran-2-carboxamide chemical structure, C16H18N2O3S, CAS 419559-31-2
N-(3-Carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-methylfuran-2-carboxamide
CAS 419559-31-2C16H18N2O3S
N-(3-Cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)furan-2-carboxamide chemical structure, C15H14N2O2S, CAS 312596-30-8
N-(3-Cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)furan-2-carboxamide
CAS 312596-30-8C15H14N2O2S
Isopropyl 2-(2-furoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate chemical structure, C18H21NO4S, CAS 352684-25-4
Isopropyl 2-(2-furoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS 352684-25-4C18H21NO4S
Methyl 2-[(5-methyl-2-furoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate chemical structure, C17H19NO4S, CAS 438473-87-1
Methyl 2-[(5-methyl-2-furoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS 438473-87-1C17H19NO4S
Methyl 2-[(5-bromo-2-furoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate chemical structure, C16H16BrNO4S, CAS 438467-36-8
Methyl 2-[(5-bromo-2-furoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS 438467-36-8C16H16BrNO4S
5-Bromo-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)furan-2-carboxamide chemical structure, C15H15BrN2O3S, CAS 353474-72-3
5-Bromo-N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)furan-2-carboxamide
CAS 353474-72-3C15H15BrN2O3S
N-[3-(Diethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]furan-2-carboxamide chemical structure, C19H24N2O3S, CAS 402777-39-3
N-[3-(Diethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]furan-2-carboxamide
CAS 402777-39-3C19H24N2O3S
N-(3-Carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide chemical structure, C15H15N3O5S, CAS 477494-33-0
N-(3-Carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-nitrofuran-2-carboxamide
CAS 477494-33-0C15H15N3O5S
Propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate chemical structure, C18H20BrNO4S, CAS 352687-97-9
Propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS 352687-97-9C18H20BrNO4S
Ethyl 2-(5-nitrofuran-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate chemical structure, C17H18N2O6S, CAS 477504-70-4
Ethyl 2-(5-nitrofuran-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS 477504-70-4C17H18N2O6S
Methyl 2-(5-nitrofuran-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate chemical structure, C16H16N2O6S, CAS 477579-03-6
Methyl 2-(5-nitrofuran-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS 477579-03-6C16H16N2O6S