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Murcko scaffold

Ring system with 3 rings and 20 atoms

10 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
10
With full pages
4
Scaffold SMILES

c1ccc(CCNCCc2ccc3c(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(CCNCCc2ccc3c(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 10 of 10 chemicals

Protokylol chemical structure, C18H21NO5, CAS 136-70-9
Protokylol
CAS 136-70-9C18H21NO5
1,2-Benzenediol, 4-(2-((2-(1,3-benzodioxol-5-yl)-1-methylethyl)amino)-1-hydroxyethyl)-, hydrochloride (1:1) chemical structure, C18H22ClNO5, CAS 136-69-6
1,2-Benzenediol, 4-(2-((2-(1,3-benzodioxol-5-yl)-1-methylethyl)amino)-1-hydroxyethyl)-, hydrochloride (1:1)
CAS 136-69-6C18H22ClNO5
Phenethylamine, 3,4-methylenedioxy-N-phenethyl-, hydrobromide chemical structure, C17H20BrNO2, CAS 70044-82-5
Phenethylamine, 3,4-methylenedioxy-N-phenethyl-, hydrobromide
CAS 70044-82-5C17H20BrNO2
Phenethylamine, 3,4-methylenedioxy-N-methyl-N-(2-phenethyl)-, hydrochloride chemical structure, C18H22ClNO2, CAS 70044-87-0
Phenethylamine, 3,4-methylenedioxy-N-methyl-N-(2-phenethyl)-, hydrochloride
CAS 70044-87-0C18H22ClNO2
Phenethylamine, 3,4-methylenedioxy-N-phenethyl-N-propyl-, hydrochloride chemical structure, C20H26ClNO2, CAS 70045-00-0
Phenethylamine, 3,4-methylenedioxy-N-phenethyl-N-propyl-, hydrochloride
CAS 70045-00-0C20H26ClNO2
CL-316243 chemical structure, C20H18ClNNa2O7, CAS 138908-40-4
CL-316243
CAS 138908-40-4C20H18ClNNa2O7
Cl-316243 Free diacid chemical structure, C20H20ClNO7, CAS 183720-02-7
Cl-316243 Free diacid
CAS 183720-02-7C20H20ClNO7
CL 316243 disodium salt chemical structure, C20H18ClNNa2O7, CAS 151126-84-0
CL 316243 disodium salt
CAS 151126-84-0C20H18ClNNa2O7
5-[2-[[2-(1,3-Benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-2-hydroxybenzamide chemical structure, C19H22N2O5, CAS 56290-90-5
5-[2-[[2-(1,3-Benzodioxol-5-yl)-1-methylethyl]amino]-1-hydroxyethyl]-2-hydroxybenzamide
CAS 56290-90-5C19H22N2O5
Sodium 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate chemical structure, C20H18ClNNaO7-
Sodium 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
C20H18ClNNaO7-