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Murcko scaffold

Ring system with 5 rings and 32 atoms

10 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
32
Chemicals
10
With full pages
3
Scaffold SMILES

O=C(NCCc1ccccc1)c1ccc2c(c1)CCN(C(=O)c1ccc3ccoc3c1)C2

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(NCCc1ccccc1)c1ccc2c(c1)CCN(C(=O)c1ccc3ccoc3c1)C2

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 10 of 10 chemicals

Lifitegrast chemical structure, C29H24Cl2N2O7S, CAS 1025967-78-5
Lifitegrast
CAS 1025967-78-5C29H24Cl2N2O7S
Lifitegrast sodium chemical structure, C29H23Cl2N2NaO7S, CAS 1119276-80-0
Lifitegrast sodium
CAS 1119276-80-0C29H23Cl2N2NaO7S
L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-2-chloro-5-(methylsulfonyl)- chemical structure, C29H23Cl3N2O7S, CAS 1355247-41-4
L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-2-chloro-5-(methylsulfonyl)-
CAS 1355247-41-4C29H23Cl3N2O7S
L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-[(1R)-1-hydroxyethyl]- chemical structure, C30H26Cl2N2O6, CAS 1355247-65-2
L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-[(1R)-1-hydroxyethyl]-
CAS 1355247-65-2C30H26Cl2N2O6
R-Lifitegrast chemical structure, C29H24Cl2N2O7S, CAS 2271299-08-0
R-Lifitegrast
CAS 2271299-08-0C29H24Cl2N2O7S
Methyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate chemical structure, C30H26Cl2N2O7S, CAS 2295862-29-0
Methyl (S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxamido)-3-(3-(methylsulfonyl)phenyl)propanoate
CAS 2295862-29-0C30H26Cl2N2O7S
Lifitegrast impurity D chemical structure, C29H26N2O7S, CAS 2295862-00-7
Lifitegrast impurity D
CAS 2295862-00-7C29H26N2O7S
Lifitegrast impurity 14 chemical structure, C31H28Cl2N2O7S, CAS 2295862-24-5
Lifitegrast impurity 14
CAS 2295862-24-5C31H28Cl2N2O7S
(2S)-2-((2-(1-Benzofuran-6-carbonyl)-5-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl)amino)-3-(3-methylsulfonylphenyl)propanoic acid chemical structure, C29H25ClN2O7S, CAS 2322380-15-2
(2S)-2-((2-(1-Benzofuran-6-carbonyl)-5-chloro-3,4-dihydro-1H-isoquinoline-6-carbonyl)amino)-3-(3-methylsulfonylphenyl)propanoic acid
CAS 2322380-15-2C29H25ClN2O7S
Lifitegrast impurity 16 chemical structure, C29H25ClN2O7S, CAS 2322380-18-5
Lifitegrast impurity 16
CAS 2322380-18-5C29H25ClN2O7S