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Murcko scaffold

Ring system with 4 rings and 23 atoms

6 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 23
Chemicals: 6
With full pages: 1

Scaffold SMILES

O=C1CCCC2=C1C(c1ccc(-c3ccccc3)cc1)C=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(c1ccc(-c3ccccc3)cc1)C=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 6 of 6 chemicals

2-Methylpropyl 4-(biphenyl-4-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C27H29NO3, CAS 347316-25-0

2-Methylpropyl 4-(biphenyl-4-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

CAS 347316-25-0C₂₇H₂₉NO₃

2-Methoxyethyl 4-(biphenyl-4-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C26H27NO4, CAS 347312-69-0

2-Methoxyethyl 4-(biphenyl-4-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

CAS 347312-69-0C₂₆H₂₇NO₄

Methyl 4-(biphenyl-4-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C24H23NO3, CAS 299918-65-3

Methyl 4-(biphenyl-4-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

CAS 299918-65-3C₂₄H₂₃NO₃

2-(Ethylsulfanyl)ethyl 4-(biphenyl-4-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C27H29NO3S, CAS 312597-60-7

2-(Ethylsulfanyl)ethyl 4-(biphenyl-4-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

CAS 312597-60-7C₂₇H₂₉NO₃S

Ethyl 2,7,7-trimethyl-5-oxo-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate chemical structure, C27H29NO3, CAS 1099644-42-4

Ethyl 2,7,7-trimethyl-5-oxo-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate

CAS 1099644-42-4C₂₇H₂₉NO₃

(R)-Ethyl 4-(biphenyl-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate chemical structure, C27H29NO3, CAS 1409968-46-2

(R)-Ethyl 4-(biphenyl-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

CAS 1409968-46-2C₂₇H₂₉NO₃