Murcko scaffold
Ring system with 4 rings and 25 atoms
16 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 25
- Chemicals
- 16
- With full pages
- 5
Scaffold SMILES
O=C1C=CC(=Cc2ccc(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(=Cc2ccc(Cc3ccc(C=C4C=CC(=O)N4)[nH]3)[nH]2)N1](/scaffold/BWUPYEPXOBDKBK-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 16 of 16 chemicals
Bilirubin
CAS 635-65-4C33H36N4O6
(4E,15E)-Bilirubin
CAS 69853-44-7C33H36N4O6
Mesobilirubin
CAS 16568-56-2C33H40N4O6
Bilirubin dimethyl ester
CAS 19792-68-8C35H40N4O6
Ditaurobilirubin
CAS 99316-85-5C29H34N6Na2O10S2+2
Bilirubin ditaurine
CAS 89771-93-7C37H46N6O10S2
Bilirubin conjugate
CAS 68683-34-1C37H44N6Na2O10S2
Bilirubin Conjugate ditaurate disodium
CAS 1028071-36-4C37H44N6Na2O10S2
(4E,15Z)-Bilirubin IXalpha
CAS 69853-43-6C33H36N4O6
RefChem:589279
C37H44N6Na2O10S2
Bilirubin conjugate
C37H44N6Na2O10S2
21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, sodium salt (1:2)
C33H36N4NaO6
![3-[2-[[3-(2-Carboxyethyl)-4-methyl-5-[(3-methyl-5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(4-methyl-5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid chemical structure, C29H32N4O6, CAS 109839-83-0](/s/XDTOPLGYVJQKGP-UHFFFAOYSA-N.svg)
3-[2-[[3-(2-Carboxyethyl)-4-methyl-5-[(3-methyl-5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(4-methyl-5-oxopyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
CAS 109839-83-0C29H32N4O6
Bilirubin disodium
CAS 93891-87-3C33H34N4Na2O6
Bilirubin impurity 6
CAS 69853-42-5C33H36N4O6
Bilirubin monoglucuronide
CAS 27071-67-6C39H46N4O13
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C1C=CC(C=c2ccc(=Cc3ccc(C=C4C=CC(=O)N4)[nH]3)[nH]2)=N1](/scaffold/MQHWQQCOXHUNCS-UHFFFAOYSA-N/structure.svg)
O=C1C=CC(C=c2ccc(=Cc3ccc(C=C4C=CC(=O)N4)[nH]3)[nH]2)=N17 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