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Murcko scaffold

Ring system with 4 rings and 21 atoms

8 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
8
With full pages
1
Scaffold SMILES

O=C(Nc1cc2c(s1)CCCC2)c1ccc2c(c1)OCO2

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)CCCC2)c1ccc2c(c1)OCO2

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 8 of 8 chemicals

N-(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide chemical structure, C17H16N2O4S, CAS 330683-44-8
N-(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CAS 330683-44-8C17H16N2O4S
Methyl 2-(1,3-benzodioxole-5-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C18H17NO5S, CAS 329221-87-6
Methyl 2-(1,3-benzodioxole-5-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 329221-87-6C18H17NO5S
Ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C19H19NO5S, CAS 325694-57-3
Ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 325694-57-3C19H19NO5S
Methyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C19H19NO5S, CAS 314023-04-6
Methyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 314023-04-6C19H19NO5S
N-(3-Cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide chemical structure, C18H16N2O3S, CAS 314055-47-5
N-(3-Cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CAS 314055-47-5C18H16N2O3S
Propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C21H23NO5S, CAS 329221-88-7
Propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 329221-88-7C21H23NO5S
N-(3-Carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide chemical structure, C18H18N2O4S, CAS 329221-84-3
N-(3-Carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CAS 329221-84-3C18H18N2O4S
N-(6-tert-Butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide chemical structure, C21H24N2O4S, CAS 362481-97-8
N-(6-tert-Butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-benzodioxole-5-carboxamide
CAS 362481-97-8C21H24N2O4S