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Murcko scaffold

Ring system with 4 rings and 25 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
5
With full pages
2
Scaffold SMILES

O=C(Cc1cscn1)NC1C(=O)N2C=C(CSc3nnn[nH]3)CSC12

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(Cc1cscn1)NC1C(=O)N2C=C(CSc3nnn[nH]3)CSC12

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 5 of 5 chemicals

Cefotiam chemical structure, C18H23N9O4S3, CAS 61622-34-2
Cefotiam
CAS 61622-34-2C18H23N9O4S3
Cefotiam hydrochloride chemical structure, C18H25Cl2N9O4S3, CAS 66309-69-1
Cefotiam hydrochloride
CAS 66309-69-1C18H25Cl2N9O4S3
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)- chemical structure, C24H33N9O6S3, CAS 71809-37-5
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R,7R)-
CAS 71809-37-5C24H33N9O6S3
Cefotiam monohydrochloride chemical structure, C18H24ClN9O4S3, CAS 1428118-46-0
Cefotiam monohydrochloride
CAS 1428118-46-0C18H24ClN9O4S3
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-trans)- chemical structure, C21H26N8O6S3, CAS 96448-66-7
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-trans)-
CAS 96448-66-7C21H26N8O6S3