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Murcko scaffold

Ring system with 3 rings and 23 atoms

23 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
23
Chemicals
23
With full pages
3
Scaffold SMILES

O=C(Cc1ccccc1)NCc1ccccc1N1CCCCC1

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(Cc1ccccc1)NCc1ccccc1N1CCCCC1

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 23 of 23 chemicals

2-Ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoic acid chemical structure, C27H36N2O4, CAS 135969-54-9
2-Ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoic acid
CAS 135969-54-9C27H36N2O4
Repaglinide chemical structure, C27H36N2O4, CAS 135062-02-1
Repaglinide
CAS 135062-02-1C27H36N2O4
Benzoic acid, 4-(2-oxo-2-((1-(2-(1-piperidinyl)phenyl)butyl)amino)ethyl)- chemical structure, C24H30N2O3, CAS 89605-59-4
Benzoic acid, 4-(2-oxo-2-((1-(2-(1-piperidinyl)phenyl)butyl)amino)ethyl)-
CAS 89605-59-4C24H30N2O3
Repaglinide, (-)- chemical structure, C27H36N2O4, CAS 147852-26-4
Repaglinide, (-)-
CAS 147852-26-4C27H36N2O4
Benzoic acid, 4-[2-oxo-2-[[1-[2-(1-piperidinyl)phenyl]pentyl]amino]ethyl]- chemical structure, C25H32N2O3, CAS 89605-60-7
Benzoic acid, 4-[2-oxo-2-[[1-[2-(1-piperidinyl)phenyl]pentyl]amino]ethyl]-
CAS 89605-60-7C25H32N2O3
Benzoic acid, 4-[2-oxo-2-[[[2-(1-piperidinyl)phenyl]methyl]amino]ethyl]- chemical structure, C21H24N2O3, CAS 83895-71-0
Benzoic acid, 4-[2-oxo-2-[[[2-(1-piperidinyl)phenyl]methyl]amino]ethyl]-
CAS 83895-71-0C21H24N2O3
2-Ethoxy-4-(3-((S)-3-methy-1-(2-piperidin-1-yl-phenyl)-butylamino)-2-oxo-propyl)-benzoic acid ethyl ester chemical structure, C29H40N2O4, CAS 147770-06-7
2-Ethoxy-4-(3-((S)-3-methy-1-(2-piperidin-1-yl-phenyl)-butylamino)-2-oxo-propyl)-benzoic acid ethyl ester
CAS 147770-06-7C29H40N2O4
Benzoic acid, 4-[2-oxo-2-[[1-[2-(1-piperidinyl)phenyl]hexyl]amino]ethyl]- chemical structure, C26H34N2O3, CAS 89605-61-8
Benzoic acid, 4-[2-oxo-2-[[1-[2-(1-piperidinyl)phenyl]hexyl]amino]ethyl]-
CAS 89605-61-8C26H34N2O3
(R)-Repaglinide ethyl ester chemical structure, C29H40N2O4, CAS 147770-08-9
(R)-Repaglinide ethyl ester
CAS 147770-08-9C29H40N2O4
Ethyl 2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]benzoate chemical structure, C29H40N2O4, CAS 108175-51-5
Ethyl 2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]benzoate
CAS 108175-51-5C29H40N2O4
Ethyl 2-hydroxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoate chemical structure, C27H36N2O4, CAS 147770-07-8
Ethyl 2-hydroxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoate
CAS 147770-07-8C27H36N2O4
O-Desethylrepaglinide (2-Hydroxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoic Acid) chemical structure, C25H32N2O4, CAS 1809091-07-3
O-Desethylrepaglinide (2-Hydroxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]benzoic Acid)
CAS 1809091-07-3C25H32N2O4
2-Methoxy-4-{[(S)-3-methyl-1-(2-piperidin-1-yl-phenyl)-butylcarbamoyl]-methyl}-benzoic acid chemical structure, C26H34N2O4, CAS 791812-92-5
2-Methoxy-4-{[(S)-3-methyl-1-(2-piperidin-1-yl-phenyl)-butylcarbamoyl]-methyl}-benzoic acid
CAS 791812-92-5C26H34N2O4
Repaglinide-ethyl-d5 chemical structure, C27H36N2O4, CAS 1217709-85-7
Repaglinide-ethyl-d5
CAS 1217709-85-7C27H36N2O4
2-Ethoxy-4-[2-[[1-[2-(3-hydroxy-1-piperidinyl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic acid chemical structure, C27H36N2O5, CAS 874908-14-2
2-Ethoxy-4-[2-[[1-[2-(3-hydroxy-1-piperidinyl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoic acid
CAS 874908-14-2C27H36N2O5
3',3''-Dihydroxy repaglinide chemical structure, C27H36N2O6, CAS 1391053-04-5
3',3''-Dihydroxy repaglinide
CAS 1391053-04-5C27H36N2O6
3'-Hydroxy repaglinide-d5 chemical structure, C27H36N2O5, CAS 1352792-15-4
3'-Hydroxy repaglinide-d5
CAS 1352792-15-4C27H36N2O5
Ethyl 2-ethoxy-4-[2-[[1-[2-(3-hydroxypiperidin-1-yl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoate chemical structure, C29H40N2O5, CAS 1286972-50-6
Ethyl 2-ethoxy-4-[2-[[1-[2-(3-hydroxypiperidin-1-yl)phenyl]-3-methylbutyl]amino]-2-oxoethyl]benzoate
CAS 1286972-50-6C29H40N2O5
Repaglinide methyl ester chemical structure, C28H38N2O4, CAS 800365-89-3
Repaglinide methyl ester
CAS 800365-89-3C28H38N2O4
Repaglinide isopropyl ester chemical structure, C30H42N2O4, CAS 2724727-17-5
Repaglinide isopropyl ester
CAS 2724727-17-5C30H42N2O4
Repaglinide N-oxide chemical structure, C27H36N2O5, CAS 121167-81-5
Repaglinide N-oxide
CAS 121167-81-5C27H36N2O5
Metformin/repaglinide chemical structure, C31H47N7O4, CAS 1235986-95-4
Metformin/repaglinide
CAS 1235986-95-4C31H47N7O4
Ethyl 4-(1-ethoxy-2-(((S)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate chemical structure, C29H40N2O4, CAS 2699921-07-6
Ethyl 4-(1-ethoxy-2-(((S)-3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate
CAS 2699921-07-6C29H40N2O4