Murcko scaffold
Ring system with 4 rings and 25 atoms
7 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 25
- Chemicals
- 7
- With full pages
- 2
Scaffold SMILES
O=C(Nc1ccccc1)c1cnc(N2CCCC2)c(-c2ccn[nH]2)c1
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(Nc1ccccc1)c1cnc(N2CCCC2)c(-c2ccn[nH]2)c1](/scaffold/CTXDNCOEELRHSI-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 7 of 7 chemicals
Asciminib
CAS 1492952-76-7C20H18ClF2N5O3
(R)-6-(3-Hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-3-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CAS 1492952-55-2C20H18F3N5O3
![N-[4-(Chlorodifluoromethoxy)phenyl]-6-[(3s)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-3-yl)pyridine-3-carboxamide chemical structure, C20H18ClF2N5O3, CAS 1492952-73-4](/s/VOVZXURTCKPRDQ-AWEZNQCLSA-N.svg)
N-[4-(Chlorodifluoromethoxy)phenyl]-6-[(3s)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-3-yl)pyridine-3-carboxamide
CAS 1492952-73-4C20H18ClF2N5O3
Asciminib hydrochloride
CAS 2119669-71-3C20H19Cl2F2N5O3
(R)-N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-5-yl)nicotinamide
CAS 1598430-18-2C26H32ClF2N5O4Si
Deschloro asciminib impurity
CAS 3033653-93-6C20H19F2N5O3
Asciminib-NH2
CAS 3106065-83-9C20H19ClF2N6O2