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Murcko scaffold

Ring system with 4 rings and 26 atoms

7 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
26
Chemicals
7
With full pages
0
Scaffold SMILES

C(#Cc1cc2c(NC3CCNCC3)cccc2[nH]1)CNc1ccccc1

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 C(#Cc1cc2c(NC3CCNCC3)cccc2[nH]1)CNc1ccccc1

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 7 of 7 chemicals

4-((3-(4-(((3R,4S)-3-Fluoropiperidin-4-yl)amino)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)prop-2-yn-1-yl)amino)-3-methoxy-N-methylbenzamide chemical structure, C27H29F4N5O2, CAS 2636847-03-3
4-((3-(4-(((3R,4S)-3-Fluoropiperidin-4-yl)amino)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)prop-2-yn-1-yl)amino)-3-methoxy-N-methylbenzamide
CAS 2636847-03-3C27H29F4N5O2
N-[(3S,4R)-3-Fluoro-1-methylpiperidin-4-yl]-2-{3-[(4-methanesulfonyl-2-methoxyphenyl)amino]prop-1-yn-1-yl}-1-(2,2,2-trifluoroethyl)indol-4-amine chemical structure, C27H30F4N4O3S, CAS 2636846-30-3
N-[(3S,4R)-3-Fluoro-1-methylpiperidin-4-yl]-2-{3-[(4-methanesulfonyl-2-methoxyphenyl)amino]prop-1-yn-1-yl}-1-(2,2,2-trifluoroethyl)indol-4-amine
CAS 2636846-30-3C27H30F4N4O3S
4-((3-(4-(((3S,4R)-3-Fluoro-1-methylpiperidin-4-yl)amino)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)prop-2-yn-1-yl)amino)-3-methoxybenzoic acid chemical structure, C27H28F4N4O3, CAS 2636846-37-0
4-((3-(4-(((3S,4R)-3-Fluoro-1-methylpiperidin-4-yl)amino)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)prop-2-yn-1-yl)amino)-3-methoxybenzoic acid
CAS 2636846-37-0C27H28F4N4O3
Rezatapopt chemical structure, C28H31F4N5O2, CAS 2636846-41-6
Rezatapopt
CAS 2636846-41-6C28H31F4N5O2
tert-Butyl 4-((2-(3-((2-methoxy-4-(methylsulfonyl)phenyl)amino)prop-1-yn-1-yl)-1-(2,2,2-trifluoroethyl)-1H-indol-4-yl)amino)piperidine-1-carboxylate chemical structure, C31H37F3N4O5S, CAS 2637447-64-2
tert-Butyl 4-((2-(3-((2-methoxy-4-(methylsulfonyl)phenyl)amino)prop-1-yn-1-yl)-1-(2,2,2-trifluoroethyl)-1H-indol-4-yl)amino)piperidine-1-carboxylate
CAS 2637447-64-2C31H37F3N4O5S
4-((3-(4-(((3S,4R)-3-Fluoropiperidin-4-yl)amino)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)prop-2-yn-1-yl)amino)-3-methoxy-N-methylbenzamide chemical structure, C27H29F4N5O2, CAS 2636847-09-9
4-((3-(4-(((3S,4R)-3-Fluoropiperidin-4-yl)amino)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)prop-2-yn-1-yl)amino)-3-methoxy-N-methylbenzamide
CAS 2636847-09-9C27H29F4N5O2
p53 Activator 7 chemical structure, C27H32F3N4OP, CAS 2849340-59-4
p53 Activator 7
CAS 2849340-59-4C27H32F3N4OP