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Murcko scaffold

Ring system with 5 rings and 29 atoms

12 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
29
Chemicals
12
With full pages
6
Scaffold SMILES

O=C1CCCC2=C1C(c1ccccc1)C(C(=O)Nc1nc3ccccc3s1)=CN2

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(c1ccccc1)C(C(=O)Nc1nc3ccccc3s1)=CN2

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

N-(1,3-Benzothiazol-2-yl)-4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide chemical structure, C27H27N3O3S, CAS 361193-65-9
N-(1,3-Benzothiazol-2-yl)-4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CAS 361193-65-9C27H27N3O3S
N-(1,3-Benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide chemical structure, C26H25N3O2S, CAS 361193-53-5
N-(1,3-Benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
CAS 361193-53-5C26H25N3O2S
N-(1,3-Benzothiazol-2-yl)-4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide chemical structure, C26H24FN3O2S, CAS 445015-07-6
N-(1,3-Benzothiazol-2-yl)-4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CAS 445015-07-6C26H24FN3O2S
N-(5-Bromo-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide chemical structure, C27H26BrN3O3S, CAS 476483-19-9
N-(5-Bromo-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CAS 476483-19-9C27H26BrN3O3S
4-(2,3-Dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide chemical structure, C29H31N3O5S, CAS 444932-70-1
4-(2,3-Dimethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CAS 444932-70-1C29H31N3O5S
N-(5-Bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide chemical structure, C26H24BrN3O2S, CAS 476483-17-7
N-(5-Bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CAS 476483-17-7C26H24BrN3O2S
N-(6-Bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide chemical structure, C29H30BrN3O5S, CAS 444927-47-3
N-(6-Bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide
CAS 444927-47-3C29H30BrN3O5S
N-(5-Bromo-1,3-benzothiazol-2-yl)-4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide chemical structure, C28H28BrN3O4S, CAS 476483-18-8
N-(5-Bromo-1,3-benzothiazol-2-yl)-4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CAS 476483-18-8C28H28BrN3O4S
N-(5-Bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide chemical structure, C29H30BrN3O5S, CAS 476483-22-4
N-(5-Bromo-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CAS 476483-22-4C29H30BrN3O5S
4-(3-(2-Amino-2-oxoethyl)-4-methoxyphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamid E chemical structure, C30H32N4O5S, CAS 476483-24-6
4-(3-(2-Amino-2-oxoethyl)-4-methoxyphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamid E
CAS 476483-24-6C30H32N4O5S
N-(1,3-Benzothiazol-2-yl)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide chemical structure, C24H20BrN3O2S, CAS 420833-01-8
N-(1,3-Benzothiazol-2-yl)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CAS 420833-01-8C24H20BrN3O2S
N-(6-Bromo-1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide chemical structure, C26H23BrClN3O2S, CAS 400845-89-8
N-(6-Bromo-1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
CAS 400845-89-8C26H23BrClN3O2S