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Murcko scaffold

Ring system with 5 rings and 28 atoms

28 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
28
Chemicals
28
With full pages
4
Scaffold SMILES

c1ccc(C(Cc2cccc3ccccc23)c2cnc3ccccc3c2)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(C(Cc2cccc3ccccc23)c2cnc3ccccc3c2)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 28 of 28 chemicals

(1S,2S)-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol chemical structure, C32H31BrN2O2, CAS 1972612-60-4
(1S,2S)-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
CAS 1972612-60-4C32H31BrN2O2
Bedaquiline chemical structure, C32H31BrN2O2, CAS 843663-66-1
Bedaquiline
CAS 843663-66-1C32H31BrN2O2
1-(6-Bromo-2-methoxy-3-quinolyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-butan-2-ol chemical structure, C32H31BrN2O2, CAS 654655-80-8
1-(6-Bromo-2-methoxy-3-quinolyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-butan-2-ol
CAS 654655-80-8C32H31BrN2O2
(1S,2R)-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol chemical structure, C32H31BrN2O2, CAS 857086-93-2
(1S,2R)-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
CAS 857086-93-2C32H31BrN2O2
Bedaquiline fumarate chemical structure, C36H35BrN2O6, CAS 845533-86-0
Bedaquiline fumarate
CAS 845533-86-0C36H35BrN2O6
(1R,2R)-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol chemical structure, C32H31BrN2O2, CAS 857086-94-3
(1R,2R)-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
CAS 857086-94-3C32H31BrN2O2
N-Monodesmethyl bedaquiline chemical structure, C31H29BrN2O2, CAS 861709-47-9
N-Monodesmethyl bedaquiline
CAS 861709-47-9C31H29BrN2O2
(BetaR)-6-bromo-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanol chemical structure, C28H22BrNO2, CAS 1298044-24-2
(BetaR)-6-bromo-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanol
CAS 1298044-24-2C28H22BrNO2
N-Didesmethyl bedaquiline chemical structure, C30H27BrN2O2, CAS 955404-04-3
N-Didesmethyl bedaquiline
CAS 955404-04-3C30H27BrN2O2
N-Desmethyl bedaquiline-d6 chemical structure, C31H29BrN2O2, CAS 2271264-26-5
N-Desmethyl bedaquiline-d6
CAS 2271264-26-5C31H29BrN2O2
(rac)-Bedaquiline-d6 chemical structure, C32H31BrN2O2, CAS 2517573-53-2
(rac)-Bedaquiline-d6
CAS 2517573-53-2C32H31BrN2O2
(1S,2R)-1-(2,6-Dimethoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol chemical structure, C33H34N2O3, CAS 654654-25-8
(1S,2R)-1-(2,6-Dimethoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CAS 654654-25-8C33H34N2O3
Bedaquiline impurity 38 chemical structure, C32H32N2O2, CAS 654654-19-0
Bedaquiline impurity 38
CAS 654654-19-0C32H32N2O2
(1R,2S)-4-(Dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol bedaquiline impurity chemical structure, C32H32N2O2, CAS 2122862-01-3
(1R,2S)-4-(Dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol bedaquiline impurity
CAS 2122862-01-3C32H32N2O2
(1S,2R)-1-(7-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol chemical structure, C32H31BrN2O2, CAS 654655-56-8
(1S,2R)-1-(7-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CAS 654655-56-8C32H31BrN2O2
(1S,2R)-1-(5-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol chemical structure, C32H31BrN2O2, CAS 654655-60-4
(1S,2R)-1-(5-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
CAS 654655-60-4C32H31BrN2O2
RefChem:393245 chemical structure, C52H44BrN2O6P, CAS 916329-20-9
RefChem:393245
CAS 916329-20-9C52H44BrN2O6P
3-Quinolineethanol,6-bromo-a-[2-(dimethylamino)ethyl]-2-methoxy-a-1-naphthalenyl-b-phenyl-, (aR,bR)-rel- chemical structure, C64H62Br2N4O4, CAS 654653-92-6
3-Quinolineethanol,6-bromo-a-[2-(dimethylamino)ethyl]-2-methoxy-a-1-naphthalenyl-b-phenyl-, (aR,bR)-rel-
CAS 654653-92-6C64H62Br2N4O4
cis-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol chemical structure, C32H31BrN2O2, CAS 654653-93-7
cis-1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
CAS 654653-93-7C32H31BrN2O2
rac-N-Desmethyl Bedaquiline-d6 chemical structure, C31H29BrN2O2, CAS 2271264-46-9
rac-N-Desmethyl Bedaquiline-d6
CAS 2271264-46-9C31H29BrN2O2
3-Quinolineethanol, 6-bromo-2-chloro-alpha-[2-(dimethylamino)ethyl]-alpha-1-naphthalenyl-beta-phenyl-, (alphaS,betaR)- chemical structure, C31H28BrClN2O, CAS 1228594-69-1
3-Quinolineethanol, 6-bromo-2-chloro-alpha-[2-(dimethylamino)ethyl]-alpha-1-naphthalenyl-beta-phenyl-, (alphaS,betaR)-
CAS 1228594-69-1C31H28BrClN2O
3-Quinolineethanol, alpha-[2-(dimethylamino)ethyl]-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-, (alphaR,betaS)-rel- chemical structure, C32H32N2O2
3-Quinolineethanol, alpha-[2-(dimethylamino)ethyl]-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-, (alphaR,betaS)-rel-
C32H32N2O2
3-Quinolineethanol, alpha-[2-(dimethylamino)ethyl]-2,6-dimethoxy-alpha-1-naphthalenyl-beta-phenyl-, (alphaR,betaS)-rel- chemical structure, C33H34N2O3
3-Quinolineethanol, alpha-[2-(dimethylamino)ethyl]-2,6-dimethoxy-alpha-1-naphthalenyl-beta-phenyl-, (alphaR,betaS)-rel-
C33H34N2O3
3-Quinolineethanol, 7-bromo-alpha-[2-(dimethylamino)ethyl]-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-, (alphaR,betaS)-rel- chemical structure, C32H31BrN2O2
3-Quinolineethanol, 7-bromo-alpha-[2-(dimethylamino)ethyl]-2-methoxy-alpha-1-naphthalenyl-beta-phenyl-, (alphaR,betaS)-rel-
C32H31BrN2O2