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Murcko scaffold

Ring system with 4 rings and 26 atoms

27 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
27
With full pages
9
Scaffold SMILES

O=C(Cc1ccccc1)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(Cc1ccccc1)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 27 of 27 chemicals

7-{[Hydroxy(phenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chemical structure, C18H18N6O5S2, CAS 1205565-14-5
7-{[Hydroxy(phenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS 1205565-14-5C18H18N6O5S2
(6R,7R)-7-[[(2S)-2-Hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chemical structure, C18H18N6O5S2, CAS 144125-09-7
(6R,7R)-7-[[(2S)-2-Hydroxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS 144125-09-7C18H18N6O5S2
Cefamandole impurity 19 chemical structure, C18H18N6O5S2, CAS 65338-32-1
Cefamandole impurity 19
CAS 65338-32-1C18H18N6O5S2
Ceforanide chemical structure, C20H21N7O6S2, CAS 60925-61-3
Ceforanide
CAS 60925-61-3C20H21N7O6S2
Cefonicid sodium chemical structure, C18H16N6Na2O8S3, CAS 61270-78-8
Cefonicid sodium
CAS 61270-78-8C18H16N6Na2O8S3
Cefonicid chemical structure, C18H18N6O8S3, CAS 61270-58-4
Cefonicid
CAS 61270-58-4C18H18N6O8S3
Bis(trimethylsilyl)cefamandole chemical structure, C24H34N6O5S2Si2, CAS 64119-70-6
Bis(trimethylsilyl)cefamandole
CAS 64119-70-6C24H34N6O5S2Si2
(6R-(6alpha,7beta))-7-((Formyloxy)phenylacetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid chemical structure, C19H18N6O6S2, CAS 68779-03-3
(6R-(6alpha,7beta))-7-((Formyloxy)phenylacetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
CAS 68779-03-3C19H18N6O6S2
Cefamandole chemical structure, C18H18N6O5S2, CAS 34444-01-4
Cefamandole
CAS 34444-01-4C18H18N6O5S2
Cgp 17520 chemical structure, C22H24N8NaO9S2+, CAS 101706-66-5
Cgp 17520
CAS 101706-66-5C22H24N8NaO9S2+
O-Formylcefamandole chemical structure, C19H18N6O6S2, CAS 57268-80-1
O-Formylcefamandole
CAS 57268-80-1C19H18N6O6S2
Cephalosporin 112883 chemical structure, C20H22N10O5S2, CAS 58801-40-4
Cephalosporin 112883
CAS 58801-40-4C20H22N10O5S2
(7S)-Cefamandole impurity 18 chemical structure, C18H18N6O5S2, CAS 1146611-43-9
(7S)-Cefamandole impurity 18
CAS 1146611-43-9C18H18N6O5S2
Cefonicid monosodium chemical structure, C18H17N6NaO8S3, CAS 71420-79-6
Cefonicid monosodium
CAS 71420-79-6C18H17N6NaO8S3
Cefamandole nafate chemical structure, C19H17N6NaO6S2, CAS 42540-40-9
Cefamandole nafate
CAS 42540-40-9C19H17N6NaO6S2
Cefamandole sodium chemical structure, C18H17N6NaO5S2, CAS 30034-03-8
Cefamandole sodium
CAS 30034-03-8C18H17N6NaO5S2
Sodium cefamandole methanolate chemical structure, C19H21N6NaO6S2, CAS 64415-59-4
Sodium cefamandole methanolate
CAS 64415-59-4C19H21N6NaO6S2
N-Cyclohexylcyclohexanamine, (6R,7R)-7-[[(2R)-2-formyloxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chemical structure, C31H41N7O6S2, CAS 94088-88-7
N-Cyclohexylcyclohexanamine, (6R,7R)-7-[[(2R)-2-formyloxy-2-phenylacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS 94088-88-7C31H41N7O6S2
Cefamandole lithium salt chemical structure, C18H18LiN6O5S2
Cefamandole lithium salt
C18H18LiN6O5S2
Cefoperazone A chemical structure, C25H29N9O9S2, CAS 73240-07-0
Cefoperazone A
CAS 73240-07-0C25H29N9O9S2
Ceforanide lysine chemical structure, C26H35N9O8S2, CAS 63767-79-3
Ceforanide lysine
CAS 63767-79-3C26H35N9O8S2
Glycine, [[[7-[(hydroxyphenylacetyl)amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonyl]oxy]methyl ester, monohydrochloride, [6R-[6I+/-,7I(2)(R*)]]- chemical structure, C21H24ClN7O7S2, CAS 70579-80-5
Glycine, [[[7-[(hydroxyphenylacetyl)amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonyl]oxy]methyl ester, monohydrochloride, [6R-[6I+/-,7I(2)(R*)]]-
CAS 70579-80-5C21H24ClN7O7S2
Cefamandole lithium chemical structure, C18H17LiN6O5S2, CAS 58648-57-0
Cefamandole lithium
CAS 58648-57-0C18H17LiN6O5S2
Ceforanide sodium chemical structure, C20H19N7Na2O6S2, CAS 61336-41-2
Ceforanide sodium
CAS 61336-41-2C20H19N7Na2O6S2