CompoundList
Sign in
Murcko scaffold

Ring system with 3 rings and 19 atoms

22 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
19
Chemicals
22
With full pages
3
Scaffold SMILES

c1ccc(CCNCc2ccc3c(c2)OCO3)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(CCNCc2ccc3c(c2)OCO3)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 22 of 22 chemicals

Benzyl alcohol, alpha-(1-(piperonylamino)ethyl)-, hydrochloride chemical structure, C17H20ClNO3, CAS 18864-11-4
Benzyl alcohol, alpha-(1-(piperonylamino)ethyl)-, hydrochloride
CAS 18864-11-4C17H20ClNO3
Benzenemethanol, 4-amino-alpha-(((1-(1,3-benzodioxol-5-yl)-1-methylethyl)amino)methyl)-3,5-dichloro- chemical structure, C18H20Cl2N2O3, CAS 38339-25-2
Benzenemethanol, 4-amino-alpha-(((1-(1,3-benzodioxol-5-yl)-1-methylethyl)amino)methyl)-3,5-dichloro-
CAS 38339-25-2C18H20Cl2N2O3
4-(2-(((6-Bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol chemical structure, C16H16BrNO3, CAS 34315-37-2
4-(2-(((6-Bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol
CAS 34315-37-2C16H16BrNO3
N-(1,3-Benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide chemical structure, C18H16F3NO4, CAS 40135-88-4
N-(1,3-Benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CAS 40135-88-4C18H16F3NO4
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-fluoro-phenyl)-ethyl]-amine chemical structure, C16H16FNO2, CAS 435345-36-1
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-fluoro-phenyl)-ethyl]-amine
CAS 435345-36-1C16H16FNO2
2-(3-Fluorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine chemical structure, C16H15FN2O4, CAS 355816-52-3
2-(3-Fluorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine
CAS 355816-52-3C16H15FN2O4
2-(2-Methoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine chemical structure, C17H18N2O5, CAS 355382-84-2
2-(2-Methoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine
CAS 355382-84-2C17H18N2O5
Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine chemical structure, C16H16FNO2, CAS 331970-58-2
Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine
CAS 331970-58-2C16H16FNO2
N-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)ethanamine chemical structure, C18H21NO4, CAS 355816-26-1
N-[(7-Methoxy-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CAS 355816-26-1C18H21NO4
N-(1,3-Benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)ethanamine chemical structure, C18H21NO4, CAS 111355-37-4
N-(1,3-Benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)ethanamine
CAS 111355-37-4C18H21NO4
2-(3,4-Dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine chemical structure, C18H20N2O6, CAS 352436-20-5
2-(3,4-Dimethoxyphenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine
CAS 352436-20-5C18H20N2O6
2-(2,4-Dichlorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine chemical structure, C16H14Cl2N2O4, CAS 355383-38-9
2-(2,4-Dichlorophenyl)-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ethanamine
CAS 355383-38-9C16H14Cl2N2O4
4-[2-(1,3-Benzodioxol-5-ylmethylamino)ethyl]phenol, hydrochloride chemical structure, C16H18ClNO3, CAS 56114-14-8
4-[2-(1,3-Benzodioxol-5-ylmethylamino)ethyl]phenol, hydrochloride
CAS 56114-14-8C16H18ClNO3
1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride chemical structure, C16H18ClNO4, CAS 56114-10-4
1,2-Benzenediol, 4-(2-((1,3-benzodioxol-5-ylmethyl)amino)ethyl)-, hydrochloride
CAS 56114-10-4C16H18ClNO4
N-(1,3-Benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)ethanamine chemical structure, C17H19NO3, CAS 352436-16-9
N-(1,3-Benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CAS 352436-16-9C17H19NO3
4-[2-(1,3-Benzodioxol-5-ylmethylamino)ethyl]benzenesulfonamide chemical structure, C16H18N2O4S, CAS 875002-04-3
4-[2-(1,3-Benzodioxol-5-ylmethylamino)ethyl]benzenesulfonamide
CAS 875002-04-3C16H18N2O4S
2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol chemical structure, C16H17NO3, CAS 82709-54-4
2-[(1,3-Benzodioxol-5-ylmethyl)amino]-1-phenylethanol
CAS 82709-54-4C16H17NO3
N-(1,3-Benzodioxol-5-ylmethyl)-2-phenylpropan-1-amine chemical structure, C17H19NO2, CAS 932279-11-3
N-(1,3-Benzodioxol-5-ylmethyl)-2-phenylpropan-1-amine
CAS 932279-11-3C17H19NO2
Benzo[1,3]dioxol-5-ylmethyl-phenethyl-amine oxalate chemical structure, C18H19NO6, CAS 1048327-84-9
Benzo[1,3]dioxol-5-ylmethyl-phenethyl-amine oxalate
CAS 1048327-84-9C18H19NO6
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-fluoro-phenyl)-ethyl]-amine hydrochloride chemical structure, C16H17ClFNO2
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-fluoro-phenyl)-ethyl]-amine hydrochloride
C16H17ClFNO2
Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine hydrochloride chemical structure, C16H17ClFNO2, CAS 1185293-50-8
Benzo[1,3]dioxol-5-ylmethyl-[2-(2-fluoro-phenyl)-ethyl]-amine hydrochloride
CAS 1185293-50-8C16H17ClFNO2
25I-Nb34md chemical structure, C18H20INO4, CAS 1391497-81-6
25I-Nb34md
CAS 1391497-81-6C18H20INO4