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Murcko scaffold

Ring system with 4 rings and 25 atoms

7 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
25
Chemicals
7
With full pages
3
Scaffold SMILES

c1ccc(-c2cc(OCc3ccccc3-n3cccn3)ncn2)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(-c2cc(OCc3ccccc3-n3cccn3)ncn2)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 7 of 7 chemicals

Telotristat chemical structure, C25H22ClF3N6O3, CAS 1033805-28-5
Telotristat
CAS 1033805-28-5C25H22ClF3N6O3
Telotristat ethyl chemical structure, C27H26ClF3N6O3, CAS 1033805-22-9
Telotristat ethyl
CAS 1033805-22-9C27H26ClF3N6O3
(S)-Ethyl 3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate chemical structure, C32H34ClF3N6O5, CAS 1125828-44-5
(S)-Ethyl 3-(4-(2-amino-6-((R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)-2-((tert-butoxycarbonyl)amino)propanoate
CAS 1125828-44-5C32H34ClF3N6O5
L-Phenylalanine, 4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-N-[(1,1-dimethylethoxy)carbonyl]- chemical structure, C30H30ClF3N6O5, CAS 1033805-27-4
L-Phenylalanine, 4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-N-[(1,1-dimethylethoxy)carbonyl]-
CAS 1033805-27-4C30H30ClF3N6O5
Telotristat etiprate chemical structure, C36H35ClF3N7O6, CAS 1137608-69-5
Telotristat etiprate
CAS 1137608-69-5C36H35ClF3N7O6
Telotristat besilate chemical structure, C31H28ClF3N6O6S, CAS 1374745-52-4
Telotristat besilate
CAS 1374745-52-4C31H28ClF3N6O6S
(R)-2-(4-(2-Amino-6-(1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)acetic acid chemical structure, C24H19ClF3N5O3, CAS 1956435-42-9
(R)-2-(4-(2-Amino-6-(1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)acetic acid
CAS 1956435-42-9C24H19ClF3N5O3