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Murcko scaffold

Ring system with 3 rings and 18 atoms

20 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 18
Chemicals: 20
With full pages: 3

Scaffold SMILES

c1cc2c(cc1CCCN1CCCC1)OCCO2

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 c1cc2c(cc1CCCN1CCCC1)OCCO2

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 20 of 20 chemicals

EtDO-P4 chemical structure, C31H52N2O4, CAS 245329-78-6

CAS 245329-78-6C₃₁H₅₂N₂O₄

Des-hexane eliglustat chemical structure, C17H24N2O4, CAS 2219353-50-9

Des-hexane eliglustat

CAS 2219353-50-9C₁₇H₂₄N₂O₄

2-Amino-1-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)-3-(pyrrolidin-1-yl)propan-1-ol, (1R,2R)- chemical structure, C15H22N2O3, CAS 491833-28-4

2-Amino-1-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)-3-(pyrrolidin-1-yl)propan-1-ol, (1R,2R)-

CAS 491833-28-4C₁₅H₂₂N₂O₃

N-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]nonanamide chemical structure, C24H38N2O4, CAS 956895-35-5

N-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]nonanamide

CAS 956895-35-5C₂₄H₃₈N₂O₄

N-((1R,2R)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl)octanamide chemical structure, C23H36N2O4, CAS 491833-29-5

N-((1R,2R)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl)octanamide

CAS 491833-29-5C₂₃H₃₆N₂O₄

Genz-123346 chemical structure, C24H38N2O4, CAS 491833-30-8

CAS 491833-30-8C₂₄H₃₈N₂O₄

Eliglustat tartrate chemical structure, C50H78N4O14, CAS 928659-70-5

Eliglustat tartrate

CAS 928659-70-5C₅₀H₇₈N₄O₁₄

Eliglustat (SR) diastereomer chemical structure, C23H36N2O4, CAS 1092472-65-5

Eliglustat (SR) diastereomer

CAS 1092472-65-5C₂₃H₃₆N₂O₄

N-[(1S,2S)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]octanamide chemical structure, C23H36N2O4, CAS 1092472-70-2

N-[(1S,2S)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]octanamide

CAS 1092472-70-2C₂₃H₃₆N₂O₄

N-[(1R,2S)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]-octanamide chemical structure, C23H36N2O4, CAS 1092472-66-6

N-[(1R,2S)-2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1-pyrrolidinylmethyl)ethyl]-octanamide

CAS 1092472-66-6C₂₃H₃₆N₂O₄

N-[(1R,2R)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]decanamide chemical structure, C25H40N2O4, CAS 491833-31-9

N-[(1R,2R)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]decanamide

CAS 491833-31-9C₂₅H₄₀N₂O₄

tert-Butyl N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]carbamate chemical structure, C20H30N2O5, CAS 502483-57-0

tert-Butyl N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]carbamate

CAS 502483-57-0C₂₀H₃₀N₂O₅

(1R,2R)-N-(1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-1-oxo-3-(pyrrolidin-1-yl)propan-2-yl)octanamide oxalate chemical structure, C25H38N2O8, CAS 2925283-20-9

(1R,2R)-N-(1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-1-oxo-3-(pyrrolidin-1-yl)propan-2-yl)octanamide oxalate

CAS 2925283-20-9C₂₅H₃₈N₂O₈

Gqh5N7U72P chemical structure, C52H82N4O14, CAS 943344-58-9

CAS 943344-58-9C₅₂H₈₂N₄O₁₄

Eliglustat O-octonyl dimer chemical structure, C31H50N2O5, CAS 2193052-06-9

Eliglustat O-octonyl dimer

CAS 2193052-06-9C₃₁H₅₀N₂O₅

N-[(1R,2R)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]hexanamide chemical structure, C21H32N2O4, CAS 2193051-88-4

N-[(1R,2R)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-(pyrrolidin-1-yl)propan-2-yl]hexanamide

CAS 2193051-88-4C₂₁H₃₂N₂O₄

Eliglustat N-oxide chemical structure, C23H36N2O5, CAS 2137145-62-9

Eliglustat N-oxide

CAS 2137145-62-9C₂₃H₃₆N₂O₅

1-Pyrrolidinepropanol, beta-amino-alpha-(2,3-dihydro-1,4-benzodioxin-6-yl)-, hydrate (1:1), (alphaR,betaR)- chemical structure, C15H24N2O4, CAS 2244191-80-6

1-Pyrrolidinepropanol, beta-amino-alpha-(2,3-dihydro-1,4-benzodioxin-6-yl)-, hydrate (1:1), (alphaR,betaR)-

CAS 2244191-80-6C₁₅H₂₄N₂O₄

Eliglustat-d15 (tartrate) chemical structure, C27H42N2O10, CAS 1884556-84-6

Eliglustat-d15 (tartrate)

CAS 1884556-84-6C₂₇H₄₂N₂O₁₀

Eliglustat impurity A chemical structure, C22H34N2O4, CAS 2193052-00-3

Eliglustat impurity A

CAS 2193052-00-3C₂₂H₃₄N₂O₄