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Murcko scaffold

Ring system with 3 rings and 18 atoms

12 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
12
With full pages
3
Scaffold SMILES

O=C(Nc1cc2c(s1)CCCC2)c1cnccn1

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)c1cnccn1

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 12 of 12 chemicals

Methyl 4,5,6,7-tetrahydro-6-methyl-2-((2-pyrazinylcarbonyl)amino)benzo(b)thiophene-3-carboxylate chemical structure, C16H17N3O3S, CAS 303134-32-9
Methyl 4,5,6,7-tetrahydro-6-methyl-2-((2-pyrazinylcarbonyl)amino)benzo(b)thiophene-3-carboxylate
CAS 303134-32-9C16H17N3O3S
N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide chemical structure, C14H12N4OS, CAS 312508-42-2
N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
CAS 312508-42-2C14H12N4OS
N-(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide chemical structure, C14H14N4O2S, CAS 362589-09-1
N-(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
CAS 362589-09-1C14H14N4O2S
Methyl 2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C15H15N3O3S, CAS 352679-61-9
Methyl 2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 352679-61-9C15H15N3O3S
Propan-2-yl 2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C17H19N3O3S, CAS 353786-46-6
Propan-2-yl 2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 353786-46-6C17H19N3O3S
N-(3-Cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide chemical structure, C15H14N4OS, CAS 354546-58-0
N-(3-Cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
CAS 354546-58-0C15H14N4OS
Ethyl 6-tert-butyl-2-[(pyrazin-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C20H25N3O3S, CAS 321533-36-2
Ethyl 6-tert-butyl-2-[(pyrazin-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 321533-36-2C20H25N3O3S
Methyl 6-tert-butyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C19H23N3O3S, CAS 329725-07-7
Methyl 6-tert-butyl-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 329725-07-7C19H23N3O3S
N-(6-tert-Butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide chemical structure, C18H22N4O2S, CAS 459799-95-2
N-(6-tert-Butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
CAS 459799-95-2C18H22N4O2S
3-((3-(Ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)pyrazine-2-carboxylic acid chemical structure, C17H17N3O5S, CAS 319490-73-8
3-((3-(Ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)pyrazine-2-carboxylic acid
CAS 319490-73-8C17H17N3O5S
Butyl 2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C18H21N3O3S, CAS 445022-45-7
Butyl 2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 445022-45-7C18H21N3O3S
Methyl 6-(2-methylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C20H25N3O3S, CAS 424813-44-5
Methyl 6-(2-methylbutan-2-yl)-2-(pyrazine-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 424813-44-5C20H25N3O3S