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Murcko scaffold

Ring system with 4 rings and 28 atoms

4 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
28
Chemicals
4
With full pages
2
Scaffold SMILES

N=C(C(=O)NC1C(=O)N2C=C(CSc3nc(=O)cn[nH]3)CSC12)c1cscn1

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 N=C(C(=O)NC1C(=O)N2C=C(CSc3nc(=O)cn[nH]3)CSC12)c1cscn1

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

RefChem:405211 chemical structure, C18H16N8Na2O7S3, CAS 97164-54-0
RefChem:405211
CAS 97164-54-0C18H16N8Na2O7S3
Ceftriaxone disodium salt hemiheptahydrate chemical structure, C36H46N16Na4O21S6, CAS 104376-79-6
Ceftriaxone disodium salt hemiheptahydrate
CAS 104376-79-6C36H46N16Na4O21S6
Ceftriaxone disodium salt hemi(heptahydrate) chemical structure, C18H16N8Na2O7S3
Ceftriaxone disodium salt hemi(heptahydrate)
C18H16N8Na2O7S3
Disodium, (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, trihydrate chemical structure, C18H22N8Na2O10S3
Disodium, (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-6-oxido-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, trihydrate
C18H22N8Na2O10S3