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Murcko scaffold

Ring system with 3 rings and 22 atoms

19 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
22
Chemicals
19
With full pages
2
Scaffold SMILES

c1ccc(-c2cncnc2OCCOc2ncccn2)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(-c2cncnc2OCCOc2ncccn2)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 19 of 19 chemicals

N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-1-propanesulfonamide chemical structure, C19H19Br2N5O4S, CAS 556797-05-8
N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-1-propanesulfonamide
CAS 556797-05-8C19H19Br2N5O4S
Macitentan IMpurity chemical structure, C17H15Br2N5O4S, CAS 556796-88-4
Macitentan IMpurity
CAS 556796-88-4C17H15Br2N5O4S
6-[2-(5-Bromopyrimidin-2-yloxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-amine chemical structure, C17H16BrN5O2, CAS 169677-19-4
6-[2-(5-Bromopyrimidin-2-yloxy)ethoxy]-5-(4-methylphenyl)pyrimidin-4-amine
CAS 169677-19-4C17H16BrN5O2
Macitentan chemical structure, C19H20Br2N6O4S, CAS 441798-33-0
Macitentan
CAS 441798-33-0C19H20Br2N6O4S
N-Despropyl-N-methyl Macitentan chemical structure, C17H16Br2N6O4S, CAS 441798-25-0
N-Despropyl-N-methyl Macitentan
CAS 441798-25-0C17H16Br2N6O4S
N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(4-chlorophenyl)-4-pyrimidinyl]-N'-propylsulfamide chemical structure, C19H20BrClN6O4S, CAS 441798-36-3
N-[6-[2-[(5-Bromo-2-pyrimidinyl)oxy]ethoxy]-5-(4-chlorophenyl)-4-pyrimidinyl]-N'-propylsulfamide
CAS 441798-36-3C19H20BrClN6O4S
Aprocitentan chemical structure, C16H14Br2N6O4S, CAS 1103522-45-7
Aprocitentan
CAS 1103522-45-7C16H14Br2N6O4S
Macitentan-d4 chemical structure, C19H20Br2N6O4S, CAS 1258428-05-5
Macitentan-d4
CAS 1258428-05-5C19H20Br2N6O4S
5-(4-Bromophenyl)-6-(2-((5-bromo-2-pyrimidinyl)oxy)ethoxy)-4-pyrimidinamine chemical structure, C16H13Br2N5O2, CAS 1433875-21-8
5-(4-Bromophenyl)-6-(2-((5-bromo-2-pyrimidinyl)oxy)ethoxy)-4-pyrimidinamine
CAS 1433875-21-8C16H13Br2N5O2
N-[5-(4-Bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]butane-1-sulfonamide chemical structure, C20H21Br2N5O4S, CAS 556797-16-1
N-[5-(4-Bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]butane-1-sulfonamide
CAS 556797-16-1C20H21Br2N5O4S
N-Despropyl-N-ethyl Macitentan chemical structure, C18H18Br2N6O4S, CAS 441796-13-0
N-Despropyl-N-ethyl Macitentan
CAS 441796-13-0C18H18Br2N6O4S
N-[5-(4-Bromophenyl)-6-[2-[(5-chloro-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide chemical structure, C19H20BrClN6O4S, CAS 2443747-63-3
N-[5-(4-Bromophenyl)-6-[2-[(5-chloro-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide
CAS 2443747-63-3C19H20BrClN6O4S
5-(4-Bromophenyl)-4-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-6-fluoropyrimidine chemical structure, C16H11Br2FN4O2, CAS 1803092-45-6
5-(4-Bromophenyl)-4-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-6-fluoropyrimidine
CAS 1803092-45-6C16H11Br2FN4O2
5-(4-Bromophenyl)-4-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-6-chloropyrimidine chemical structure, C16H11Br2ClN4O2, CAS 1642873-05-9
5-(4-Bromophenyl)-4-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-6-chloropyrimidine
CAS 1642873-05-9C16H11Br2ClN4O2
4-Bromo-5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]pyrimidine chemical structure, C16H11Br3N4O2, CAS 1803092-46-7
4-Bromo-5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]pyrimidine
CAS 1803092-46-7C16H11Br3N4O2
Aprocitentan D4 chemical structure, C16H14Br2N6O4S, CAS 2748196-51-0
Aprocitentan D4
CAS 2748196-51-0C16H14Br2N6O4S
5-Phenyl-N-(propylsulfamoyl)-6-(2-pyrimidin-2-yloxyethoxy)pyrimidin-4-amine chemical structure, C19H22N6O4S, CAS 2300968-85-6
5-Phenyl-N-(propylsulfamoyl)-6-(2-pyrimidin-2-yloxyethoxy)pyrimidin-4-amine
CAS 2300968-85-6C19H22N6O4S
5-(Desbromophenyl)-5-phenyl-macitentan chemical structure, C19H21BrN6O4S, CAS 2300968-87-8
5-(Desbromophenyl)-5-phenyl-macitentan
CAS 2300968-87-8C19H21BrN6O4S
5-(4-Bromophenyl)-N-(propylsulfamoyl)-6-(2-pyrimidin-2-yloxyethoxy)pyrimidin-4-amine chemical structure, C19H21BrN6O4S, CAS 2211059-00-4
5-(4-Bromophenyl)-N-(propylsulfamoyl)-6-(2-pyrimidin-2-yloxyethoxy)pyrimidin-4-amine
CAS 2211059-00-4C19H21BrN6O4S