Murcko scaffold
Ring system with 5 rings and 32 atoms
9 chemicals on CompoundList share this ring system.
- Rings
- 5
- Scaffold atoms
- 32
- Chemicals
- 9
- With full pages
- 3
Scaffold SMILES
O=C(OC(c1ccccc1)c1ccccc1)C1=C(CSc2nnn[nH]2)CSC2CC(=O)N12
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.
![Murcko scaffold O=C(OC(c1ccccc1)c1ccccc1)C1=C(CSc2nnn[nH]2)CSC2CC(=O)N12](/scaffold/VNDWDSMDAKZCAN-UHFFFAOYSA-N/structure.svg)
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 9 of 9 chemicals
![7-Amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, diphenylmethyl ester chemical structure, C23H22N6O3S2](/s/YDROWRWAIBYYQX-UHFFFAOYSA-N.svg)
7-Amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, diphenylmethyl ester
C23H22N6O3S2
![(6R,7R)-Benzhydryl 7-amino-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C23H22N6O3S2, CAS 53090-86-1](/s/YDROWRWAIBYYQX-DYESRHJHSA-N.svg)
(6R,7R)-Benzhydryl 7-amino-3-((1-methyl-1H-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS 53090-86-1C23H22N6O3S2
7-Mac
CAS 56610-72-1C24H24N6O4S2
Cefmetazole diphenylmethyl ester
C28H27N7O5S3
Cefmetazole impurity 24
CAS 56796-19-1C28H27N7O5S3
![Diphenylmethyl (6R,7S)-7-(2-bromoacetamido)-7-methoxy-8-oxo-3-{1-[(2H-tetrazol-5-yl)sulfanyl]ethyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C26H25BrN6O5S2, CAS 70035-75-5](/s/HZPUFYPKSBSUHG-DAEQWJJKSA-N.svg)
Diphenylmethyl (6R,7S)-7-(2-bromoacetamido)-7-methoxy-8-oxo-3-{1-[(2H-tetrazol-5-yl)sulfanyl]ethyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS 70035-75-5C26H25BrN6O5S2
![Benzhydryl (6R,7S)-7-(butanoylamino)-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C28H30N6O5S2, CAS 75072-09-2](/s/IVBVMEGGLPCASD-IAPPQJPRSA-N.svg)
Benzhydryl (6R,7S)-7-(butanoylamino)-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS 75072-09-2C28H30N6O5S2
![Benzhydryl (7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C28H27N7O5S3](/s/PDJYAXXJVUFLLL-RXBHZZDJSA-N.svg)
Benzhydryl (7S)-7-[[2-(cyanomethylsulfanyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
C28H27N7O5S3
![Benzhydryl (6R,7S)-7-[(2-bromoacetyl)amino]-7-methoxy-8-oxo-3-[1-(2H-tetrazol-5-ylsulfanyl)ethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate chemical structure, C26H25BrN6O5S2](/s/HZPUFYPKSBSUHG-YUEGXGERSA-N.svg)
Benzhydryl (6R,7S)-7-[(2-bromoacetyl)amino]-7-methoxy-8-oxo-3-[1-(2H-tetrazol-5-ylsulfanyl)ethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
C26H25BrN6O5S2