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Murcko scaffold

Ring system with 3 rings and 20 atoms

9 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
20
Chemicals
9
With full pages
3
Scaffold SMILES

O=C(OCC1CCNCC1)c1cccc2c1OCCO2

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(OCC1CCNCC1)c1cccc2c1OCCO2

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 9 of 9 chemicals

1,4-Benzodioxin-5-carboxylic acid, 8-amino-7-chloro-2,3-dihydro-, (1-butyl-4-piperidinyl)methyl ester, hydrochloride (1:1) chemical structure, C19H28Cl2N2O4, CAS 148688-01-1
1,4-Benzodioxin-5-carboxylic acid, 8-amino-7-chloro-2,3-dihydro-, (1-butyl-4-piperidinyl)methyl ester, hydrochloride (1:1)
CAS 148688-01-1C19H28Cl2N2O4
SB 204070 hydrochloride chemical structure, C19H27ClN2O4, CAS 148702-58-3
SB 204070 hydrochloride
CAS 148702-58-3C19H27ClN2O4
SB-207710 chemical structure, C19H27IN2O4, CAS 148703-08-6
SB-207710
CAS 148703-08-6C19H27IN2O4
RS 116 0086 chemical structure, C19H27NO4, CAS 148702-61-8
RS 116 0086
CAS 148702-61-8C19H27NO4
Y22Grv2jaz chemical structure, C19H27IN2O4, CAS 620165-50-6
Y22Grv2jaz
CAS 620165-50-6C19H27IN2O4
4-Piperidinylmethyl 8-amino-7-chloro-1,4-benzodioxan-5-carboxylate chemical structure, C15H19ClN2O4, CAS 148702-73-2
4-Piperidinylmethyl 8-amino-7-chloro-1,4-benzodioxan-5-carboxylate
CAS 148702-73-2C15H19ClN2O4
Hxb2NJ4zgg chemical structure, C19H27IN2O4, CAS 717923-40-5
Hxb2NJ4zgg
CAS 717923-40-5C19H27IN2O4
(1-Butylpiperidin-4-yl)methyl 8-amino-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate chemical structure, C19H28N2O4, CAS 148702-59-4
(1-Butylpiperidin-4-yl)methyl 8-amino-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate
CAS 148702-59-4C19H28N2O4
(1-{[(2-Methylprop-2-yl)oxy]carbonyl}hexahydropyridin-4-yl)methyl 8-amino-7-chloro-2,3-dihydrobenzo[2,1-b][1,4]dioxine-5-carboxylate chemical structure, C20H27ClN2O6, CAS 148703-28-0
(1-{[(2-Methylprop-2-yl)oxy]carbonyl}hexahydropyridin-4-yl)methyl 8-amino-7-chloro-2,3-dihydrobenzo[2,1-b][1,4]dioxine-5-carboxylate
CAS 148703-28-0C20H27ClN2O6