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Murcko scaffold

Ring system with 5 rings and 27 atoms

15 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
27
Chemicals
15
With full pages
12
Scaffold SMILES

O=C1CCCC2=C1C(c1ccccc1)C=CN2c1cc2c(s1)CCCCC2

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=CN2c1cc2c(s1)CCCCC2

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 15 of 15 chemicals

Ethyl 2-(2-amino-3-cyano-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinolin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate chemical structure, C28H29N3O3S, CAS 312285-49-7
Ethyl 2-(2-amino-3-cyano-5-oxo-4-phenyl-4,6,7,8-tetrahydroquinolin-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS 312285-49-7C28H29N3O3S
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[B]thien-2-yl)-4-(4-E thylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C28H28N4OS, CAS 312266-40-3
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[B]thien-2-yl)-4-(4-E thylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 312266-40-3C28H28N4OS
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-4-(3-N itrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C26H23N5O3S, CAS 311797-47-4
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-4-(3-N itrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 311797-47-4C26H23N5O3S
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile chemical structure, C28H27FN4OS, CAS 312285-48-6
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CAS 312285-48-6C28H27FN4OS
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-4-(4-M ethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbon itrile chemical structure, C29H30N4O2S, CAS 309277-28-9
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-4-(4-M ethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbon itrile
CAS 309277-28-9C29H30N4O2S
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[B]thien-2-yl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitri LE chemical structure, C27H26N4OS2, CAS 311797-48-5
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[B]thien-2-yl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitri LE
CAS 311797-48-5C27H26N4OS2
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-4-(4-M ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C27H26N4O2S, CAS 312266-18-5
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-4-(4-M ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 312266-18-5C27H26N4O2S
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-4-(3-H ydroxy-4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitr ile chemical structure, C27H26N4O3S, CAS 476483-94-0
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-4-(3-H ydroxy-4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitr ile
CAS 476483-94-0C27H26N4O3S
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-4-(4-F luorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C26H23FN4OS, CAS 312267-24-6
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-4-(4-F luorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 312267-24-6C26H23FN4OS
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C29H30N4O4S, CAS 312266-19-6
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 312266-19-6C29H30N4O4S
Ethyl 2-(2-amino-3-cyano-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-quin olinyl)-5,6,7,8-tetrahydro-4H-cyclohepta(B)thiophene-3-carboxylate chemical structure, C28H28N4O5S, CAS 312315-97-2
Ethyl 2-(2-amino-3-cyano-4-(3-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-quin olinyl)-5,6,7,8-tetrahydro-4H-cyclohepta(B)thiophene-3-carboxylate
CAS 312315-97-2C28H28N4O5S
Ethyl 2-[2-amino-4-(4-bromophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate chemical structure, C28H28BrN3O3S, CAS 312281-37-1
Ethyl 2-[2-amino-4-(4-bromophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS 312281-37-1C28H28BrN3O3S
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[B]thien-2-yl)-4-(3,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C28H28N4O3S, CAS 312266-37-8
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[B]thien-2-yl)-4-(3,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 312266-37-8C28H28N4O3S
Ethyl 2-(2-amino-3-cyano-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-qui nolinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxylate chemical structure, C28H28FN3O3S, CAS 312315-90-5
Ethyl 2-(2-amino-3-cyano-4-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-1(4H)-qui nolinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxylate
CAS 312315-90-5C28H28FN3O3S
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-4-(4-E thoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile chemical structure, C28H28N4O2S, CAS 312266-38-9
2-Amino-1-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta(B)thien-2-yl)-4-(4-E thoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS 312266-38-9C28H28N4O2S