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Murcko scaffold

Ring system with 4 rings and 24 atoms

8 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
24
Chemicals
8
With full pages
1
Scaffold SMILES

O=C(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CCCC1

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(C1CC(N2CCN(c3ncccn3)CC2)CN1)N1CCCC1

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

Gosogliptin chemical structure, C17H24F2N6O, CAS 869490-23-3
Gosogliptin
CAS 869490-23-3C17H24F2N6O
(3,3-Difluoropyrrolidin-1-yl)-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]methanone chemical structure, C17H24F2N6O, CAS 869490-47-1
(3,3-Difluoropyrrolidin-1-yl)-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]methanone
CAS 869490-47-1C17H24F2N6O
tert-Butyl (2S,4S)-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-1-carboxylate chemical structure, C22H32F2N6O3, CAS 869490-24-4
tert-Butyl (2S,4S)-2-(3,3-difluoropyrrolidine-1-carbonyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-1-carboxylate
CAS 869490-24-4C22H32F2N6O3
1-Pyrrolidinecarboxamide, 2-((3,3-difluoro-1-pyrrolidinyl)carbonyl)-4-(4-(5-hydroxy-2-pyrimidinyl)-1-piperazinyl)-, (2S,4S)- chemical structure, C18H25F2N7O3, CAS 1424035-21-1
1-Pyrrolidinecarboxamide, 2-((3,3-difluoro-1-pyrrolidinyl)carbonyl)-4-(4-(5-hydroxy-2-pyrimidinyl)-1-piperazinyl)-, (2S,4S)-
CAS 1424035-21-1C18H25F2N7O3
Methanone, (3,3-difluoro-1-pyrrolidinyl)((2S,4S)-4-(4-(5-hydroxy-2-pyrimidinyl)-1-piperazinyl)-2-pyrrolidinyl)- chemical structure, C17H24F2N6O2, CAS 1424035-04-0
Methanone, (3,3-difluoro-1-pyrrolidinyl)((2S,4S)-4-(4-(5-hydroxy-2-pyrimidinyl)-1-piperazinyl)-2-pyrrolidinyl)-
CAS 1424035-04-0C17H24F2N6O2
1-Pyrrolidinecarboxaldehyde, 2-((3,3-difluoro-1-pyrrolidinyl)carbonyl)-4-(4-(5-hydroxy-2-pyrimidinyl)-1-piperazinyl)-, (2S,4S)- chemical structure, C18H24F2N6O3, CAS 1424035-16-4
1-Pyrrolidinecarboxaldehyde, 2-((3,3-difluoro-1-pyrrolidinyl)carbonyl)-4-(4-(5-hydroxy-2-pyrimidinyl)-1-piperazinyl)-, (2S,4S)-
CAS 1424035-16-4C18H24F2N6O3
Gosogliptin dihydrochloride chemical structure, C17H26Cl2F2N6O
Gosogliptin dihydrochloride
C17H26Cl2F2N6O
Orb3173623 chemical structure, C17H26Cl2F2N6O
Orb3173623
C17H26Cl2F2N6O