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Murcko scaffold

Ring system with 3 rings and 18 atoms

35 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 18
Chemicals: 35
With full pages: 5

Scaffold SMILES

O=C(Cc1cccs1)NC1C(=O)N2C=CCSC12

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(Cc1cccs1)NC1C(=O)N2C=CCSC12

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 35 of 35 chemicals

3-[(Acetyloxy)methyl]-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chemical structure, C16H16N2O6S2, CAS 481649-28-9

3-[(Acetyloxy)methyl]-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS 481649-28-9C₁₆H₁₆N₂O₆S₂

3-(Carbamoyloxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chemical structure, C16H17N3O7S2

3-(Carbamoyloxymethyl)-7-methoxy-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C₁₆H₁₇N₃O₇S₂

Cephalothin chemical structure, C16H16N2O6S2, CAS 153-61-7

CAS 153-61-7C₁₆H₁₆N₂O₆S₂

(6R,7S)-3-(Carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chemical structure, C16H17N3O7S2, CAS 56082-95-2

(6R,7S)-3-(Carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS 56082-95-2C₁₆H₁₇N₃O₇S₂

Deacetylcephalothin chemical structure, C14H14N2O5S2, CAS 5935-65-9

Deacetylcephalothin

CAS 5935-65-9C₁₄H₁₄N₂O₅S₂

Deacetoxycephalothin chemical structure, C14H14N2O4S2, CAS 34691-02-6

Deacetoxycephalothin

CAS 34691-02-6C₁₄H₁₄N₂O₄S₂

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-methoxy-8-oxo-7-((2-thienylacetyl)amino)-, cis- chemical structure, C17H18N2O7S2, CAS 52128-53-7

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-methoxy-8-oxo-7-((2-thienylacetyl)amino)-, cis-

CAS 52128-53-7C₁₇H₁₈N₂O₇S₂

7(Alpha-fluoro-2-thienylacetamido)cephalosporanic acid chemical structure, C16H15FN2O6S2, CAS 94788-69-9

7(Alpha-fluoro-2-thienylacetamido)cephalosporanic acid

CAS 94788-69-9C₁₆H₁₅FN₂O₆S₂

Cephalosporin 87/30 chemical structure, C17H19N3O4S4, CAS 1055-69-2

Cephalosporin 87/30

CAS 1055-69-2C₁₇H₁₉N₃O₄S₄

Cefoxitin chemical structure, C16H17N3O7S2, CAS 35607-66-0

CAS 35607-66-0C₁₆H₁₇N₃O₇S₂

(6R)-3-(Acetoxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid chemical structure, C17H18N2O7S2, CAS 50268-65-0

(6R)-3-(Acetoxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

CAS 50268-65-0C₁₇H₁₈N₂O₇S₂

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, (6R,7R)- chemical structure, C16H16N2O6S2, CAS 1212824-20-8

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, (6R,7R)-

CAS 1212824-20-8C₁₆H₁₆N₂O₆S₂

(6R-Trans)-3-((Carbamoyloxy)methyl)-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid chemical structure, C15H15N3O6S2, CAS 37051-05-1

(6R-Trans)-3-((Carbamoyloxy)methyl)-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

CAS 37051-05-1C₁₅H₁₅N₃O₆S₂

(6R,7R)-3-[(Methylsulfanyl)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chemical structure, C15H16N2O4S3, CAS 26722-85-0

(6R,7R)-3-[(Methylsulfanyl)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS 26722-85-0C₁₅H₁₆N₂O₄S₃

(6S,7S)-3-(Carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chemical structure, C16H17N3O7S2

(6S,7S)-3-(Carbamoyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C₁₆H₁₇N₃O₇S₂

(6R,7S)-3-(Acetyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chemical structure, C17H18N2O7S2

(6R,7S)-3-(Acetyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C₁₇H₁₈N₂O₇S₂

7-Hydroxycefothiophene chemical structure, C16H16N2O7S2, CAS 88837-50-7

7-Hydroxycefothiophene

CAS 88837-50-7C₁₆H₁₆N₂O₇S₂

Decarbamylcefoxitin chemical structure, C15H16N2O6S2, CAS 54333-94-7

Decarbamylcefoxitin

CAS 54333-94-7C₁₅H₁₆N₂O₆S₂

Cefoxitin sodium chemical structure, C16H16N3NaO7S2, CAS 33564-30-6

Cefoxitin sodium

CAS 33564-30-6C₁₆H₁₆N₃NaO₇S₂

Cephalothin sodium chemical structure, C16H15N2NaO6S2, CAS 58-71-9

Cephalothin sodium

CAS 58-71-9C₁₆H₁₅N₂NaO₆S₂

Sodium (6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C17H17N2NaO7S2, CAS 35565-07-2

Sodium (6R,7S)-3-(acetyloxymethyl)-7-methoxy-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS 35565-07-2C₁₇H₁₇N₂NaO₇S₂

Sodium 3-(acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C16H15N2NaO6S2, CAS 1219414-23-9

Sodium 3-(acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS 1219414-23-9C₁₆H₁₅N₂NaO₆S₂

Desacetylcephalothin sodium chemical structure, C14H13N2NaO5S2, CAS 5547-29-5

Desacetylcephalothin sodium

CAS 5547-29-5C₁₄H₁₃N₂NaO₅S₂

Sodium (6S,7S)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C16H15N2NaO6S2, CAS 51014-52-9

Sodium (6S,7S)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS 51014-52-9C₁₆H₁₅N₂NaO₆S₂