CompoundList
Sign in
Murcko scaffold

Ring system with 5 rings and 32 atoms

6 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
32
Chemicals
6
With full pages
3
Scaffold SMILES

c1cc(N2CCC(N3CCNCC3)CC2)ccc1Nc1cncc(NC2CCOCC2)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.

Substructure search with this scaffold
Murcko scaffold c1cc(N2CCC(N3CCNCC3)CC2)ccc1Nc1cncc(NC2CCOCC2)n1

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 6 of 6 chemicals

Gilteritinib chemical structure, C29H44N8O3, CAS 1254053-43-4
Gilteritinib
CAS 1254053-43-4C29H44N8O3
Gilteritinib fumarate chemical structure, C62H92N16O10, CAS 1254053-84-3
Gilteritinib fumarate
CAS 1254053-84-3C62H92N16O10
6-Ethyl-3-[[3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[(tetrahydro-2H-pyran-4-yl)amino]-2-pyrazinecarbonitrile chemical structure, C29H42N8O2, CAS 2043019-99-2
6-Ethyl-3-[[3-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[(tetrahydro-2H-pyran-4-yl)amino]-2-pyrazinecarbonitrile
CAS 2043019-99-2C29H42N8O2
Gilteritinib-d8 chemical structure, C29H44N8O3, CAS 2377109-74-3
Gilteritinib-d8
CAS 2377109-74-3C29H44N8O3
6-Ethyl-3-[[3-methoxy-4-[4-(1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[(tetrahydro-2H-pyran-4-yl)amino]-2-pyrazinecarboxamide chemical structure, C28H42N8O3, CAS 1373410-40-2
6-Ethyl-3-[[3-methoxy-4-[4-(1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[(tetrahydro-2H-pyran-4-yl)amino]-2-pyrazinecarboxamide
CAS 1373410-40-2C28H42N8O3
Deuterated gilteritinib chemical structure, C29H44N8O3, CAS 3085640-00-9
Deuterated gilteritinib
CAS 3085640-00-9C29H44N8O3