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Murcko scaffold

Ring system with 4 rings and 18 atoms

8 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
18
Chemicals
8
With full pages
4
Scaffold SMILES

N=c1ccc2[nH][nH]c3c4c(=O)cccc4cc1c23

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 N=c1ccc2[nH][nH]c3c4c(=O)cccc4cc1c23

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

Piroxantrone chemical structure, C21H25N5O4, CAS 91441-23-5
Piroxantrone
CAS 91441-23-5C21H25N5O4
Anthra(1,9-cd)pyrazol-6(2H)-one, 5-((3-aminopropyl)amino)-7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-, hydrochloride chemical structure, C21H26ClN5O4, CAS 118201-50-6
Anthra(1,9-cd)pyrazol-6(2H)-one, 5-((3-aminopropyl)amino)-7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-, hydrochloride
CAS 118201-50-6C21H26ClN5O4
Teloxantrone chemical structure, C21H25N5O4, CAS 91441-48-4
Teloxantrone
CAS 91441-48-4C21H25N5O4
Teloxantrone hydrochloride chemical structure, C21H29Cl2N5O5, CAS 132937-88-3
Teloxantrone hydrochloride
CAS 132937-88-3C21H29Cl2N5O5
Teloxantrone hydrochloride anhydrous chemical structure, C21H27Cl2N5O4, CAS 123830-79-5
Teloxantrone hydrochloride anhydrous
CAS 123830-79-5C21H27Cl2N5O4
Piroxantrone hydrochloride chemical structure, C21H27Cl2N5O4, CAS 105118-12-5
Piroxantrone hydrochloride
CAS 105118-12-5C21H27Cl2N5O4
2-[2-[[2-(Dimethylamino)ethyl]amino]ethyl]-5-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-7,10-dihydroxyanthra-[1,9-cd]pyrazol-6(2H)-one chemical structure, C24H32N6O4, CAS 91441-51-9
2-[2-[[2-(Dimethylamino)ethyl]amino]ethyl]-5-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-7,10-dihydroxyanthra-[1,9-cd]pyrazol-6(2H)-one
CAS 91441-51-9C24H32N6O4
Anthra[1,9-cd]pyrazol-6(2H)-one, 5-[(4-aminobutyl)amino]-7,10-dihydroxy-2-[2-[(2-hydroxyethyl)amino]ethyl]- chemical structure, C22H27N5O4, CAS 91441-24-6
Anthra[1,9-cd]pyrazol-6(2H)-one, 5-[(4-aminobutyl)amino]-7,10-dihydroxy-2-[2-[(2-hydroxyethyl)amino]ethyl]-
CAS 91441-24-6C22H27N5O4