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Murcko scaffold

Ring system with 4 rings and 26 atoms

5 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
5
With full pages
2
Scaffold SMILES

O=C(Nc1ccc2c(c1)NCC2)c1cccnc1NCc1ccncc1

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 O=C(Nc1ccc2c(c1)NCC2)c1cccnc1NCc1ccncc1

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 5 of 5 chemicals

3-Pyridinecarboxamide, N-(2,3-dihydro-3,3-dimethyl-1H-indol-6-yl)-2-(((1-oxido-4-pyridinyl)methyl)amino)- chemical structure, C22H23N5O2, CAS 1026278-72-7
3-Pyridinecarboxamide, N-(2,3-dihydro-3,3-dimethyl-1H-indol-6-yl)-2-(((1-oxido-4-pyridinyl)methyl)amino)-
CAS 1026278-72-7C22H23N5O2
Motesanib chemical structure, C22H23N5O, CAS 453562-69-1
Motesanib
CAS 453562-69-1C22H23N5O
Motesanib diphosphate chemical structure, C22H29N5O9P2, CAS 857876-30-3
Motesanib diphosphate
CAS 857876-30-3C22H29N5O9P2
N-(1-Acetyl-3,3-dimethylindolin-6-yl)-2-((pyridin-4-ylmethyl)amino)nicotinamide chemical structure, C24H25N5O2, CAS 453562-74-8
N-(1-Acetyl-3,3-dimethylindolin-6-yl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CAS 453562-74-8C24H25N5O2
Motesanib metabolite M5 chemical structure, C22H23N5O2, CAS 1182283-87-9
Motesanib metabolite M5
CAS 1182283-87-9C22H23N5O2