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Murcko scaffold

CX-546 scaffold

29 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
29
With full pages
3
Scaffold SMILES

O=C(c1ccc2c(c1)OCCO2)N1CCCCC1

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 scaffoldOpen the CX-546 page
Murcko scaffold O=C(c1ccc2c(c1)OCCO2)N1CCCCC1

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 29 of 29 chemicals

CX-546 chemical structure, C14H17NO3, CAS 215923-54-9
CX-546
CAS 215923-54-9C14H17NO3
2,3-Dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-1-yl)methanone chemical structure, C15H19NO3, CAS 588686-56-0
2,3-Dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-1-yl)methanone
CAS 588686-56-0C15H19NO3
Ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate chemical structure, C17H21NO5, CAS 748144-38-9
Ethyl 1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-4-carboxylate
CAS 748144-38-9C17H21NO5
1-(2,3-Dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidine-4-carboxylic acid chemical structure, C15H17NO5, CAS 1040327-47-6
1-(2,3-Dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidine-4-carboxylic acid
CAS 1040327-47-6C15H17NO5
1-(2,3-Dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidine-3-carboxylic acid chemical structure, C15H17NO5, CAS 1039832-33-1
1-(2,3-Dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidine-3-carboxylic acid
CAS 1039832-33-1C15H17NO5
1-(2,3-Dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidine-2-carboxylic acid chemical structure, C15H17NO5, CAS 1132763-23-5
1-(2,3-Dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidine-2-carboxylic acid
CAS 1132763-23-5C15H17NO5
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(3-hydroxypiperidin-1-yl)methanone chemical structure, C14H17NO4, CAS 1153231-92-5
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(3-hydroxypiperidin-1-yl)methanone
CAS 1153231-92-5C14H17NO4
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(4-hydroxypiperidin-1-yl)methanone chemical structure, C14H17NO4, CAS 1156974-83-2
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(4-hydroxypiperidin-1-yl)methanone
CAS 1156974-83-2C14H17NO4
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(3-(hydroxymethyl)piperidin-1-yl)methanone chemical structure, C15H19NO4, CAS 1156315-68-2
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(3-(hydroxymethyl)piperidin-1-yl)methanone
CAS 1156315-68-2C15H19NO4
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(2-(hydroxymethyl)piperidin-1-yl)methanone chemical structure, C15H19NO4, CAS 1155643-60-9
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(2-(hydroxymethyl)piperidin-1-yl)methanone
CAS 1155643-60-9C15H19NO4
tert-Butyl ((1-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidin-3-yl)methyl)carbamate chemical structure, C20H28N2O5, CAS 1420963-59-2
tert-Butyl ((1-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidin-3-yl)methyl)carbamate
CAS 1420963-59-2C20H28N2O5
tert-Butyl ((1-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidin-4-yl)methyl)carbamate chemical structure, C20H28N2O5, CAS 1333818-14-6
tert-Butyl ((1-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidin-4-yl)methyl)carbamate
CAS 1333818-14-6C20H28N2O5
(2,3-Dihydro-1,4-benzodioxin-6-yl)(2-methyl-1-piperidinyl)methanone chemical structure, C15H19NO3, CAS 1386057-16-4
(2,3-Dihydro-1,4-benzodioxin-6-yl)(2-methyl-1-piperidinyl)methanone
CAS 1386057-16-4C15H19NO3
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(4-(hydroxymethyl)piperidin-1-yl)methanone chemical structure, C15H19NO4, CAS 1179187-11-1
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(4-(hydroxymethyl)piperidin-1-yl)methanone
CAS 1179187-11-1C15H19NO4
(4-(Aminomethyl)piperidin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone hydrochloride chemical structure, C15H21ClN2O3, CAS 1353980-89-8
(4-(Aminomethyl)piperidin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone hydrochloride
CAS 1353980-89-8C15H21ClN2O3
(3-(Aminomethyl)piperidin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone hydrochloride chemical structure, C15H21ClN2O3, CAS 1353986-22-7
(3-(Aminomethyl)piperidin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone hydrochloride
CAS 1353986-22-7C15H21ClN2O3
tert-Butyl (1-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidin-3-yl)carbamate chemical structure, C19H26N2O5, CAS 1420835-50-2
tert-Butyl (1-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidin-3-yl)carbamate
CAS 1420835-50-2C19H26N2O5
tert-Butyl (1-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidin-4-yl)carbamate chemical structure, C19H26N2O5, CAS 1420860-38-3
tert-Butyl (1-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidin-4-yl)carbamate
CAS 1420860-38-3C19H26N2O5
tert-Butyl ((1-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidin-2-yl)methyl)carbamate chemical structure, C20H28N2O5, CAS 1420803-38-8
tert-Butyl ((1-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)piperidin-2-yl)methyl)carbamate
CAS 1420803-38-8C20H28N2O5
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(3-(methylamino)piperidin-1-yl)methanone hydrochloride chemical structure, C15H21ClN2O3, CAS 1420820-75-2
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(3-(methylamino)piperidin-1-yl)methanone hydrochloride
CAS 1420820-75-2C15H21ClN2O3
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(4-(methylamino)piperidin-1-yl)methanone hydrochloride chemical structure, C15H21ClN2O3, CAS 1420800-70-9
(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)(4-(methylamino)piperidin-1-yl)methanone hydrochloride
CAS 1420800-70-9C15H21ClN2O3
(3-Aminopiperidin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone hydrochloride chemical structure, C14H19ClN2O3, CAS 1420839-28-6
(3-Aminopiperidin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone hydrochloride
CAS 1420839-28-6C14H19ClN2O3
(4-Aminopiperidin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone hydrochloride chemical structure, C14H19ClN2O3, CAS 1420964-19-7
(4-Aminopiperidin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone hydrochloride
CAS 1420964-19-7C14H19ClN2O3
(2-(Aminomethyl)piperidin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone hydrochloride chemical structure, C15H21ClN2O3, CAS 1420969-36-3
(2-(Aminomethyl)piperidin-1-yl)(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methanone hydrochloride
CAS 1420969-36-3C15H21ClN2O3