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Murcko scaffold

Ring system with 4 rings and 22 atoms

8 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
22
Chemicals
8
With full pages
4
Scaffold SMILES

c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1

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 c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1

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

RefChem:924366 chemical structure, C18H19ClN4, CAS 158985-00-3
RefChem:924366
CAS 158985-00-3C18H19ClN4
3-[[4-(4-Iodophenyl)-1-piperazinyl]methyl]-1H-pyrrolo[2,3-b]pyridine chemical structure, C18H19IN4, CAS 158985-08-1
3-[[4-(4-Iodophenyl)-1-piperazinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CAS 158985-08-1C18H19IN4
3-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine chemical structure, C18H19FN4, CAS 158984-93-1
3-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CAS 158984-93-1C18H19FN4
L-750,667 Trihydrochloride chemical structure, C18H22Cl3IN4, CAS 1021868-80-3
L-750,667 Trihydrochloride
CAS 1021868-80-3C18H22Cl3IN4
L-745870 Hydrochloride chemical structure, C18H20Cl2N4, CAS 1173023-36-3
L-745870 Hydrochloride
CAS 1173023-36-3C18H20Cl2N4
3-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine chemical structure, C19H19F3N4, CAS 158985-09-2
3-[4-(4-Trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine
CAS 158985-09-2C19H19F3N4
L-745870 Trihydrochloride chemical structure, C18H22Cl4N4, CAS 866021-03-6
L-745870 Trihydrochloride
CAS 866021-03-6C18H22Cl4N4
N,N-Dimethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-piperazinyl]benzamide chemical structure, C21H25N5O, CAS 158985-41-2
N,N-Dimethyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1-piperazinyl]benzamide
CAS 158985-41-2C21H25N5O