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Murcko scaffold

Ring system with 4 rings and 29 atoms

33 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
29
Chemicals
33
With full pages
14
Scaffold SMILES

c1ccc(CCCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)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(CCCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)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 33 of 33 chemicals

Fexofenadine chemical structure, C32H39NO4, CAS 83799-24-0
Fexofenadine
CAS 83799-24-0C32H39NO4
Terfenadine chemical structure, C32H41NO2, CAS 50679-08-8
Terfenadine
CAS 50679-08-8C32H41NO2
Fexofenadine hydrochloride chemical structure, C32H40ClNO4, CAS 153439-40-8
Fexofenadine hydrochloride
CAS 153439-40-8C32H40ClNO4
Seldane-D chemical structure, C42H57ClN2O3, CAS 123245-78-3
Seldane-D
CAS 123245-78-3C42H57ClN2O3
(S)-Fexofenadine chemical structure, C32H39NO4, CAS 139965-11-0
(S)-Fexofenadine
CAS 139965-11-0C32H39NO4
Terfenadine, (S)- chemical structure, C32H41NO2, CAS 126588-96-3
Terfenadine, (S)-
CAS 126588-96-3C32H41NO2
(R)-(+)-Terfenadine chemical structure, C32H41NO2, CAS 126830-75-9
(R)-(+)-Terfenadine
CAS 126830-75-9C32H41NO2
Hydroxyterfenadine chemical structure, C32H41NO3, CAS 76815-56-0
Hydroxyterfenadine
CAS 76815-56-0C32H41NO3
Fexofenadine hydrochloride, pseudoephedrine hydrochloride chemical structure, C42H56Cl2N2O5, CAS 616242-78-5
Fexofenadine hydrochloride, pseudoephedrine hydrochloride
CAS 616242-78-5C42H56Cl2N2O5
Ethyl fexofenadine chemical structure, C34H43NO4, CAS 174483-06-8
Ethyl fexofenadine
CAS 174483-06-8C34H43NO4
(R)-Fexofenadine chemical structure, C32H39NO4, CAS 139965-10-9
(R)-Fexofenadine
CAS 139965-10-9C32H39NO4
Methyl 4-(4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl)-1-hydroxybutyl)-I+-,I+--dimethylphenylacetate chemical structure, C33H41NO4, CAS 154825-96-4
Methyl 4-(4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl)-1-hydroxybutyl)-I+-,I+--dimethylphenylacetate
CAS 154825-96-4C33H41NO4
(1-(4-(4-(1,1-Dimethylethyl)phenyl)butyl)piperidin-4-yl)diphenylmethanol chemical structure, C32H41NO, CAS 147158-67-6
(1-(4-(4-(1,1-Dimethylethyl)phenyl)butyl)piperidin-4-yl)diphenylmethanol
CAS 147158-67-6C32H41NO
4-[4-[4-(Diphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid chemical structure, C32H39NO3, CAS 1347311-10-7
4-[4-[4-(Diphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid
CAS 1347311-10-7C32H39NO3
Fexofenadine dihydrate chemical structure, C32H43NO6, CAS 885946-90-7
Fexofenadine dihydrate
CAS 885946-90-7C32H43NO6
alpha-(p-Fluorophenyl)-4-(alpha-hydroxy-alpha-phenylbenzyl)-1-piperidinebutanol chemical structure, C28H32FNO2, CAS 43076-21-7
alpha-(p-Fluorophenyl)-4-(alpha-hydroxy-alpha-phenylbenzyl)-1-piperidinebutanol
CAS 43076-21-7C28H32FNO2
1-Piperidinebutanol, 4-(hydroxydiphenylmethyl)-alpha-(4-(1-methylethyl)phenyl)- chemical structure, C31H39NO2, CAS 185066-37-9
1-Piperidinebutanol, 4-(hydroxydiphenylmethyl)-alpha-(4-(1-methylethyl)phenyl)-
CAS 185066-37-9C31H39NO2
3,3,3-Trideuterio-2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-(trideuteriomethyl)propanoic acid chemical structure, C32H39NO4, CAS 548783-71-7
3,3,3-Trideuterio-2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-(trideuteriomethyl)propanoic acid
CAS 548783-71-7C32H39NO4
Fexofenadine-d10 hydrochloride chemical structure, C32H40ClNO4, CAS 1215821-44-5
Fexofenadine-d10 hydrochloride
CAS 1215821-44-5C32H40ClNO4
Fexofenadine-d10 chemical structure, C32H39NO4, CAS 1215900-18-7
Fexofenadine-d10
CAS 1215900-18-7C32H39NO4
Methyl 4-[(1R)-1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethylbenzeneacetate chemical structure, C33H41NO4, CAS 154477-53-9
Methyl 4-[(1R)-1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethylbenzeneacetate
CAS 154477-53-9C33H41NO4
4-[1-Hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethylbenzeneacetonitrile chemical structure, C32H38N2O2, CAS 169032-19-3
4-[1-Hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethylbenzeneacetonitrile
CAS 169032-19-3C32H38N2O2
Methyl 4-[(1S)-1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethylbenzeneacetate chemical structure, C33H41NO4, CAS 154477-58-4
Methyl 4-[(1S)-1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethylbenzeneacetate
CAS 154477-58-4C33H41NO4
(1RS)-1-(4-(1,1-Dimethylethyl)phenyl)-4-(4-(diphenylmethyl)piperidin-1-yl)butan-1-ol chemical structure, C32H41NO, CAS 1632048-95-3
(1RS)-1-(4-(1,1-Dimethylethyl)phenyl)-4-(4-(diphenylmethyl)piperidin-1-yl)butan-1-ol
CAS 1632048-95-3C32H41NO