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Murcko scaffold

Ring system with 4 rings and 24 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
4
With full pages
2
Scaffold SMILES

C1=CC(c2ccccc2)C=C(CSc2ccc3c(n2)CCNC3)O1

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 C1=CC(c2ccccc2)C=C(CSc2ccc3c(n2)CCNC3)O1

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 4 of 4 chemicals

Ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate chemical structure, C26H25N5O3S, CAS 327166-82-5
Ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-phenyl-4H-pyran-3-carboxylate
CAS 327166-82-5C26H25N5O3S
Ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate chemical structure, C26H24FN5O3S, CAS 340817-63-2
Ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-(4-fluorophenyl)-4H-pyran-3-carboxylate
CAS 340817-63-2C26H24FN5O3S
Methyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]methyl}-4-(3-methoxyphenyl)-4H-pyran-3-carboxylate chemical structure, C26H25N5O4S, CAS 625369-17-7
Methyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro[1,6]naphthyridin-2-yl)sulfanyl]methyl}-4-(3-methoxyphenyl)-4H-pyran-3-carboxylate
CAS 625369-17-7C26H25N5O4S
Ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate chemical structure, C27H24F3N5O3S, CAS 340817-61-0
Ethyl 6-amino-5-cyano-2-{[(3-cyano-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)sulfanyl]methyl}-4-[2-(trifluoromethyl)phenyl]-4H-pyran-3-carboxylate
CAS 340817-61-0C27H24F3N5O3S