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Murcko scaffold

Ring system with 5 rings and 31 atoms

16 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
31
Chemicals
16
With full pages
1
Scaffold SMILES

O=C(N1CCNCC1)N1C(c2ccccc2)=NC(c2ccccc2)C1c1ccccc1

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(N1CCNCC1)N1C(c2ccccc2)=NC(c2ccccc2)C1c1ccccc1

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 16 of 16 chemicals

Piperazine, 1-[[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-, rel- chemical structure, C30H32Cl2N4O3, CAS 548472-57-7
Piperazine, 1-[[(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-, rel-
CAS 548472-57-7C30H32Cl2N4O3
cis-[4,5-Bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone chemical structure, C31H34Br2N4O4, CAS 548472-76-0
cis-[4,5-Bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CAS 548472-76-0C31H34Br2N4O4
Mdm2-IN-21 chemical structure, C34H40Cl2N4O2, CAS 939981-88-1
Mdm2-IN-21
CAS 939981-88-1C34H40Cl2N4O2
[(4S,5R)-2-(4-tert-Butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]methanone chemical structure, C37H43Cl2F3N4O2, CAS 939981-40-5
[(4S,5R)-2-(4-tert-Butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]methanone
CAS 939981-40-5C37H43Cl2F3N4O2
[(4S,5R)-2-(4-tert-Butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazol-1-yl]-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-methanone chemical structure, C36H44Cl2N4O3, CAS 939981-46-1
[(4S,5R)-2-(4-tert-Butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazol-1-yl]-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-methanone
CAS 939981-46-1C36H44Cl2N4O3
Nutlin-1 chemical structure, C32H34Cl2N4O4, CAS 548472-58-8
Nutlin-1
CAS 548472-58-8C32H34Cl2N4O4
Ro-5045337 chemical structure, C38H48Cl2N4O4S, CAS 939981-39-2
Ro-5045337
CAS 939981-39-2C38H48Cl2N4O4S
[(4R,5S)-2-(4-tert-Butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone chemical structure, C38H48Cl2N4O4S, CAS 1313611-27-6
[(4R,5S)-2-(4-tert-Butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone
CAS 1313611-27-6C38H48Cl2N4O4S
RG7112 Racemate chemical structure, C38H48Cl2N4O4S, CAS 1313611-29-8
RG7112 Racemate
CAS 1313611-29-8C38H48Cl2N4O4S
7-(4-(2-(4-(tert-Butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-1-yl)-N-hydroxyheptanamide chemical structure, C39H49Cl2N5O4, CAS 2241717-71-3
7-(4-(2-(4-(tert-Butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-1-yl)-N-hydroxyheptanamide
CAS 2241717-71-3C39H49Cl2N5O4
1-Piperazineacetic acid, 4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1H-imidazol-1-yl]carbonyl]- chemical structure, C36H42Cl2N4O4, CAS 2360561-90-4
1-Piperazineacetic acid, 4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1H-imidazol-1-yl]carbonyl]-
CAS 2360561-90-4C36H42Cl2N4O4
N-(3-Aminopropyl)-2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]acetamide chemical structure, C39H50Cl2N6O3, CAS 3049077-06-4
N-(3-Aminopropyl)-2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]acetamide
CAS 3049077-06-4C39H50Cl2N6O3
tert-Butyl 2-(4-((4S,5R)-2-(4-(tert-butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-1-yl)acetate(-) chemical structure, C40H50Cl2N4O4, CAS 3030741-26-2
tert-Butyl 2-(4-((4S,5R)-2-(4-(tert-butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-1-yl)acetate(-)
CAS 3030741-26-2C40H50Cl2N4O4
3-[4-[(4S,5R)-2-(4-tert-Butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]propanoic acid chemical structure, C37H44Cl2N4O4, CAS 2883743-18-6
3-[4-[(4S,5R)-2-(4-tert-Butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]propanoic acid
CAS 2883743-18-6C37H44Cl2N4O4
tert-Butyl 2-(4-((4R,5S)-2-(4-(tert-butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-1-yl)acetate(+) chemical structure, C40H50Cl2N4O4, CAS 3037659-74-5
tert-Butyl 2-(4-((4R,5S)-2-(4-(tert-butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-1-yl)acetate(+)
CAS 3037659-74-5C40H50Cl2N4O4
tert-Butyl 4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazine-1-carboxylate chemical structure, C39H48Cl2N4O4, CAS 3037649-36-5
tert-Butyl 4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazine-1-carboxylate
CAS 3037649-36-5C39H48Cl2N4O4