Murcko scaffold
Ring system with 4 rings and 21 atoms
8 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 21
- Chemicals
- 8
- With full pages
- 5
Scaffold SMILES
O=C(NC1CC2CCC(C1)N2)n1c(=O)[nH]c2ccccc21
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(NC1CC2CCC(C1)N2)n1c(=O)[nH]c2ccccc21](/scaffold/JECMVZDWFCBICI-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 8 of 8 chemicals
DA 6215
CAS 142942-75-4C16H20N4O2
(endo-N-8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)-2,3-dihydro-3-ethyl-2-oxo-1H-benzimidazol-1-carboxamide
CAS 127595-43-1C18H25ClN4O2
Itasetron HCl
C16H21ClN4O2
Bimu-8
CAS 134296-40-5C19H27ClN4O2
![2,3-Dihydro-N-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-3-(1-methylethyl)-2-oxo-1H-benzimidazole-1-carboxamide chemical structure, C19H26N4O2, CAS 433227-46-4](/s/AFOFVIBWSLOHFR-GOOCMWNKSA-N.svg)
2,3-Dihydro-N-[(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]-3-(1-methylethyl)-2-oxo-1H-benzimidazole-1-carboxamide
CAS 433227-46-4C19H26N4O2
Itasetron
CAS 123258-84-4C16H20N4O2
Itasetron hydrochloride
CAS 127618-28-4C16H21ClN4O2
Itasetron hydrochloride monohydrate
CAS 138602-61-6C16H23ClN4O3
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C(OC1CC2CCC(C1)N2)c1c[nH]c2ccccc12](/scaffold/LCAGVMWMARLFPS-UHFFFAOYSA-N/structure.svg)
![Scaffold O=C(OC1CC2CCC(C1)N2)n1c(=O)[nH]c2ccccc21](/scaffold/UOFRQSUKSONMOE-UHFFFAOYSA-N/structure.svg)
![Scaffold O=C(NC1CC2CCC(C1)N2)c1n[nH]c2ccccc12](/scaffold/UAYNYVKCPXFTPT-UHFFFAOYSA-N/structure.svg)