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Murcko scaffold

Ring system with 4 rings and 20 atoms

23 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
20
Chemicals
23
With full pages
4
Scaffold SMILES

c1ccc(-c2nc(-c3cccc4c3CCC4)no2)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(-c2nc(-c3cccc4c3CCC4)no2)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 23 of 23 chemicals

4-[5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol chemical structure, C21H22N2O4, CAS 1093827-52-1
4-[5-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-ol
CAS 1093827-52-1C21H22N2O4
Cym5442 chemical structure, C23H27N3O4, CAS 1094042-01-9
Cym5442
CAS 1094042-01-9C23H27N3O4
Des((2-hydroxyethyl)amino) 1-Hydroxy Ozanimod chemical structure, C21H19N3O3, CAS 1201447-05-3
Des((2-hydroxyethyl)amino) 1-Hydroxy Ozanimod
CAS 1201447-05-3C21H19N3O3
5-(3-(1-((2-Hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile chemical structure, C23H24N4O3, CAS 1201447-13-3
5-(3-(1-((2-Hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile
CAS 1201447-13-3C23H24N4O3
RP-101075 chemical structure, C21H20N4O2, CAS 1306760-73-5
RP-101075
CAS 1306760-73-5C21H20N4O2
Ozanimod chemical structure, C23H24N4O3, CAS 1306760-87-1
Ozanimod
CAS 1306760-87-1C23H24N4O3
(R)-5-(3-(1-Hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile chemical structure, C21H19N3O3, CAS 1306760-61-1
(R)-5-(3-(1-Hydroxy-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile
CAS 1306760-61-1C21H19N3O3
Kys7WW026H chemical structure, C21H19N3O3, CAS 1306760-60-0
Kys7WW026H
CAS 1306760-60-0C21H19N3O3
Acetamide, N-((1S)-4-(5-(3-cyano-4-(1-methylethoxy)phenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)- chemical structure, C23H22N4O3, CAS 1306761-08-9
Acetamide, N-((1S)-4-(5-(3-cyano-4-(1-methylethoxy)phenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-
CAS 1306761-08-9C23H22N4O3
5-(3-(1-((2-Hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isobutoxybenzonitrile chemical structure, C24H26N4O3, CAS 1306761-03-4
5-(3-(1-((2-Hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isobutoxybenzonitrile
CAS 1306761-03-4C24H26N4O3
R-Ozanimod chemical structure, C23H24N4O3, CAS 1306760-86-0
R-Ozanimod
CAS 1306760-86-0C23H24N4O3
(S)-tert-Butyl (2-((tert-butyldimethylsilyl)oxy)ethyl)(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)carbamate chemical structure, C34H46N4O5Si, CAS 1306763-63-2
(S)-tert-Butyl (2-((tert-butyldimethylsilyl)oxy)ethyl)(4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)carbamate
CAS 1306763-63-2C34H46N4O5Si
N-[4-[5-[3-Cyano-4-(1-methylethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide chemical structure, C24H24N4O4, CAS 1306761-54-5
N-[4-[5-[3-Cyano-4-(1-methylethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CAS 1306761-54-5C24H24N4O4
tert-Butyl N-[(1S)-4-[5-(3-cyano-4-isopropoxy-phenyl)-1,2,4-oxadiazol-3-yl]indan-1-yl]carbamate chemical structure, C26H28N4O4, CAS 1306763-71-2
tert-Butyl N-[(1S)-4-[5-(3-cyano-4-isopropoxy-phenyl)-1,2,4-oxadiazol-3-yl]indan-1-yl]carbamate
CAS 1306763-71-2C26H28N4O4
(S)-tert-Butyl (4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)(2-hydroxyethyl)carbamate chemical structure, C28H32N4O5, CAS 1306763-64-3
(S)-tert-Butyl (4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)(2-hydroxyethyl)carbamate
CAS 1306763-64-3C28H32N4O5
CYM 5442 hydrochloride chemical structure, C23H28ClN3O4, CAS 1783987-80-3
CYM 5442 hydrochloride
CAS 1783987-80-3C23H28ClN3O4
RP 001 hydrochloride chemical structure, C24H25ClN4O4, CAS 1781880-34-9
RP 001 hydrochloride
CAS 1781880-34-9C24H25ClN4O4
Ozanimod hydrochloride chemical structure, C23H25ClN4O3, CAS 1618636-37-5
Ozanimod hydrochloride
CAS 1618636-37-5C23H25ClN4O3
(R)-Ozanimod chemical structure, C23H25ClN4O3, CAS 1306760-85-9
(R)-Ozanimod
CAS 1306760-85-9C23H25ClN4O3
2-Hydroxy-5-(3-(1-((2-hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile chemical structure, C20H18N4O3, CAS 1306761-02-3
2-Hydroxy-5-(3-(1-((2-hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
CAS 1306761-02-3C20H18N4O3
2-[[(1S)-4-[5-(3-Cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid chemical structure, C23H22N4O4, CAS 2990018-57-8
2-[[(1S)-4-[5-(3-Cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CAS 2990018-57-8C23H22N4O4
Benzoic acid, 5-[3-[(1S)-2,3-dihydro-1-[(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methylethoxy)-, methyl ester chemical structure, C24H27N3O5, CAS 2918298-57-2
Benzoic acid, 5-[3-[(1S)-2,3-dihydro-1-[(2-hydroxyethyl)amino]-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-(1-methylethoxy)-, methyl ester
CAS 2918298-57-2C24H27N3O5
Methyl (S)-5-(3-(1-((2-hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzoate hydrochloride chemical structure, C24H28ClN3O5, CAS 2918298-58-3
Methyl (S)-5-(3-(1-((2-hydroxyethyl)amino)-2,3-dihydro-1H-inden-4-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzoate hydrochloride
CAS 2918298-58-3C24H28ClN3O5