Murcko scaffold
Ring system with 4 rings and 25 atoms
37 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 25
- Chemicals
- 37
- With full pages
- 7
Scaffold SMILES
O=C1C=CC(C=c2ccc(=Cc3ccc(C=C4C=CC(=O)N4)[nH]3)[nH]2)=N1
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=C1C=CC(C=c2ccc(=Cc3ccc(C=C4C=CC(=O)N4)[nH]3)[nH]2)=N1](/scaffold/MQHWQQCOXHUNCS-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 37 of 37 chemicals
RefChem:1066452
C33H34N4O6
Biliverdin dihydrochloride
C33H36Cl2N4O6
Biliverdin dimethyl ester
CAS 10035-62-8C35H38N4O6
Biliverdine ix alpha
CAS 114-25-0C33H34N4O6
RefChem:1066282
C33H34N4O6
Biliverdin
CAS 123316-14-3C33H34N4O6
Dehydrobilirubin
CAS 28022-06-2C33H34N4O6
Biliverdin
C33H34N4O6
Biliverdin dihydrochloride
CAS 55482-27-4C33H36Cl2N4O6
21H-Biline-1,19-dione, 2,3,7,8,12,13,17,18-octaethyl-22,24-dihydro-
CAS 35050-46-5C35H46N4O2
Biliverdin IX beta dimethyl ester
CAS 24769-92-4C35H38N4O6
Biliverdin ixdelta dimethyl ester
CAS 26195-58-4C35H38N4O6
Biliverdin IX gamma dimethyl ester
CAS 26280-00-2C35H38N4O6
Mesobiliverdin IX
CAS 493-88-9C33H38N4O6
Bactobilin
CAS 86829-00-7C39H38N4O18
Biliverdin xiiib
CAS 70695-22-6C33H34N4O6
Biliverdin xiiig
CAS 70707-71-0C33H34N4O6
Biliverdin dihydrochloride
C33H36Cl2N4O6
Mesobiliverdin
C33H38N4O6
Mesobiliverdin
C33H38N4O6
Biliverdine (technical grade)
C33H34N4O6
Biliverdin (dihydrochloride)
C33H36Cl2N4O6
3-(2-((3-(2-Carboxyethyl)-5-((4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene)methyl)-4-methyl-1H-pyrrol-2-yl)methylidene)-
CAS 856699-18-8C33H35ClN4O6
Mesobiliverdin
C33H38N4O6
- 3-[5-[[3-(2-Carboxyethyl)-5-[[3-(2-carboxyethyl)-4-methyl-5-oxopyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-2-[[4-(2-carboxyethyl)-3-methyl-5-oxopyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid113739-18-7C35H38N4O10
- 3-[2-[[3-(2-Carboxyethyl)-5-[[3-(2-carboxyethyl)-4-methyl-5-oxopyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[4-(2-carboxyethyl)-3-methyl-5-oxopyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid88039-89-8C35H38N4O10
- 3-[(2E)-2-[[3-(2-Carboxyethyl)-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acidC33H34N4O6
- MesobiliverdinC33H38N4O6
- Hematobiliverdin83504-29-4C33H38N4O8
- 3-[(2Z)-2-[[3-(2-Carboxyethyl)-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid, dihydrochlorideC33H36Cl2N4O6
- MesobiliverdinC33H38N4O6
- 21H-Biline-1,19-dione, 22,24-dihydro-58828-89-0C19H14N4O2
- MesobiliverdinC33H38N4O6
- Mesobiliverdin (microbial source)C33H38N4O6
- BiliverdinC33H34N4O6
- Biliverdin dihydrochlorideC33H36Cl2N4O6
- 3-(2-((Z)-(3-(2-Carboxyethyl)-4-methyl-5-((Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-2H-pyrrol-2-ylidene)methyl)-4-methyl-5-((Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl)-1H-pyrrol-3-yl)propanoic acid dihydrochlorideC33H36Cl2N4O6
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C1C=CC(=Cc2ccc(Cc3ccc(C=C4C=CC(=O)N4)[nH]3)[nH]2)N1](/scaffold/BWUPYEPXOBDKBK-UHFFFAOYSA-N/structure.svg)
O=C1C=CC(=Cc2ccc(Cc3ccc(C=C4C=CC(=O)N4)[nH]3)[nH]2)N15 chemicals![Scaffold c1c[nH]c(Cc2ccc(Cc3ccc(Cc4ccc[nH]4)[nH]3)[nH]2)c1](/scaffold/AXMKEYXDFDKKIO-UHFFFAOYSA-N/structure.svg)
c1c[nH]c(Cc2ccc(Cc3ccc(Cc4ccc[nH]4)[nH]3)[nH]2)c13 chemicals![Scaffold C=C1CC(=O)NC1=Cc1ccc(C=c2ccc(=CC3=NC(=O)C=C3)[nH]2)[nH]1](/scaffold/RRPAWVDCHUUCDK-UHFFFAOYSA-N/structure.svg)
C=C1CC(=O)NC1=Cc1ccc(C=c2ccc(=CC3=NC(=O)C=C3)[nH]2)[nH]13 chemicals![Scaffold O=C1C=CC(CC2=NC(=Cc3ccc(CC4C=CC(=O)N4)[nH]3)C=C2)N1](/scaffold/QPQUXLUEZGHJPZ-UHFFFAOYSA-N/structure.svg)
O=C1C=CC(CC2=NC(=Cc3ccc(CC4C=CC(=O)N4)[nH]3)C=C2)N12 chemicals![Scaffold C=C1CC(=O)N=C1C=c1ccc(=Cc2ccc(CC3C=CC(=O)N3)[nH]2)[nH]1](/scaffold/RJBKOISXZXYYSG-UHFFFAOYSA-N/structure.svg)
C=C1CC(=O)N=C1C=c1ccc(=Cc2ccc(CC3C=CC(=O)N3)[nH]2)[nH]12 chemicals![Scaffold O=C1CCC(CC2=NC(=Cc3ccc(CC4CCC(=O)N4)[nH]3)C=C2)N1](/scaffold/BPVSMDOLZJIOHF-UHFFFAOYSA-N/structure.svg)
O=C1CCC(CC2=NC(=Cc3ccc(CC4CCC(=O)N4)[nH]3)C=C2)N11 chemical
c1coc(Cc2ccc(Cc3ccc(Cc4ccco4)o3)o2)c11 chemical![Scaffold O=C1C=CC(Cc2ccc(Cc3ccc(CC4C=CC(=O)N4)[nH]3)[nH]2)N1](/scaffold/HJTWQDAPOGPDBF-UHFFFAOYSA-N/structure.svg)
O=C1C=CC(Cc2ccc(Cc3ccc(CC4C=CC(=O)N4)[nH]3)[nH]2)N11 chemical![Scaffold O=C1C=CC(C=c2ccc(=Cc3ccc(CC4C=CC(=O)N4)[nH]3)[nH]2)=N1](/scaffold/JDBWKOLXIGLCOW-UHFFFAOYSA-N/structure.svg)
O=C1C=CC(C=c2ccc(=Cc3ccc(CC4C=CC(=O)N4)[nH]3)[nH]2)=N11 chemical![Scaffold C1=CC(=CC2=NC(=Cc3ccc(C=C4C=CC=N4)[nH]3)C=C2)N=C1](/scaffold/PPRBOEHFGAHFGC-UHFFFAOYSA-N/structure.svg)
C1=CC(=CC2=NC(=Cc3ccc(C=C4C=CC=N4)[nH]3)C=C2)N=C11 chemical![Scaffold O=C1CCC(Cc2ccc(Cc3ccc(CC4CCC(=O)N4)[nH]3)[nH]2)N1](/scaffold/RHTVNCJQOYVVMT-UHFFFAOYSA-N/structure.svg)
O=C1CCC(Cc2ccc(Cc3ccc(CC4CCC(=O)N4)[nH]3)[nH]2)N11 chemical