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Murcko scaffold

Ring system with 3 rings and 16 atoms

10 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
10
With full pages
1
Scaffold SMILES

c1ccc(-n2ncc3c2CCCNC3)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(-n2ncc3c2CCCNC3)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 10 of 10 chemicals

1-(2-Fluorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine chemical structure, C15H18FN3, CAS 2059955-22-3
1-(2-Fluorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine
CAS 2059955-22-3C15H18FN3
7,7-Dimethyl-1-phenyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine chemical structure, C15H19N3, CAS 2059937-26-5
7,7-Dimethyl-1-phenyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine
CAS 2059937-26-5C15H19N3
1-(4-Fluorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine chemical structure, C15H18FN3, CAS 2059937-58-3
1-(4-Fluorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine
CAS 2059937-58-3C15H18FN3
1-(2-Chlorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine chemical structure, C15H18ClN3, CAS 2059948-54-6
1-(2-Chlorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine
CAS 2059948-54-6C15H18ClN3
7,7-Dimethyl-1-phenyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride chemical structure, C15H21Cl2N3, CAS 2060036-05-5
7,7-Dimethyl-1-phenyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride
CAS 2060036-05-5C15H21Cl2N3
1-(4-Fluorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride chemical structure, C15H20Cl2FN3, CAS 2059937-59-4
1-(4-Fluorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride
CAS 2059937-59-4C15H20Cl2FN3
1-(2-Fluorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride chemical structure, C15H20Cl2FN3, CAS 2060052-66-4
1-(2-Fluorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride
CAS 2060052-66-4C15H20Cl2FN3
1-(2-Chlorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride chemical structure, C15H20Cl3N3, CAS 2059948-55-7
1-(2-Chlorophenyl)-7,7-dimethyl-1H,4H,5H,6H,7H,8H-pyrazolo[4,3-c]azepine dihydrochloride
CAS 2059948-55-7C15H20Cl3N3
1-(2-Fluorophenyl)-7,7-dimethyl-N-[3-[methyl(prop-2-ynyl)amino]propyl]-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide chemical structure, C23H30FN5O, CAS 2223979-62-0
1-(2-Fluorophenyl)-7,7-dimethyl-N-[3-[methyl(prop-2-ynyl)amino]propyl]-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide
CAS 2223979-62-0C23H30FN5O
1-(2-Chlorophenyl)-7,7-dimethyl-N-[3-[methyl(prop-2-ynyl)amino]propyl]-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide chemical structure, C23H30ClN5O, CAS 2224084-87-9
1-(2-Chlorophenyl)-7,7-dimethyl-N-[3-[methyl(prop-2-ynyl)amino]propyl]-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide
CAS 2224084-87-9C23H30ClN5O