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Murcko scaffold

Ring system with 4 rings and 25 atoms

9 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 25
Chemicals: 9
With full pages: 1

Scaffold SMILES

O=C(C1CNCC1c1ccccc1)N1CCC(c2ccccc2)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 O=C(C1CNCC1c1ccccc1)N1CCC(c2ccccc2)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 9 of 9 chemicals

Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)- chemical structure, C28H36F2N2O2, CAS 862281-92-3

Methanone, ((3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl)((3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl)-

CAS 862281-92-3C₂₈H₃₆F₂N₂O₂

MK-0493 free base chemical structure, C30H38ClF2N3O2, CAS 455956-93-1

MK-0493 free base

CAS 455956-93-1C₃₀H₃₈ClF₂N₃O₂

MC-4R Agonist 1 chemical structure, C30H38ClF2N3O2, CAS 455957-28-5

MC-4R Agonist 1

CAS 455957-28-5C₃₀H₃₈ClF₂N₃O₂

N-((1S)-1-(5-Chloro-2-(1-(((3S,4R)-4-(2,4-difluorophenyl)-1-(tert-butyl)-3-pyrrolidinyl)carbonyl)-4-piperidinyl)phenyl)ethyl)acetamide hydrochloride chemical structure, C30H39Cl2F2N3O2, CAS 455957-71-8

N-((1S)-1-(5-Chloro-2-(1-(((3S,4R)-4-(2,4-difluorophenyl)-1-(tert-butyl)-3-pyrrolidinyl)carbonyl)-4-piperidinyl)phenyl)ethyl)acetamide hydrochloride

CAS 455957-71-8C₃₀H₃₉Cl₂F₂N₃O₂

(3R,4S,5S)-1-{[(3R,4S)-1-tert-Butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}-3,5-dimethyl-4-phenylpiperidin-4-ol chemical structure, C28H36F2N2O2, CAS 1222098-03-4

(3R,4S,5S)-1-{[(3R,4S)-1-tert-Butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl]carbonyl}-3,5-dimethyl-4-phenylpiperidin-4-ol

CAS 1222098-03-4C₂₈H₃₆F₂N₂O₂

Orb1740958 chemical structure, C28H37ClF2N2O2, CAS 862282-10-8

CAS 862282-10-8C₂₈H₃₇ClF₂N₂O₂

Methanone, [(3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl][(3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl], (HCl) chemical structure, C28H37ClF2N2O2

Methanone, [(3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl][(3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl], (HCl)

C₂₈H₃₇ClF₂N₂O₂

Methanone,[(3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl][(3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl]hydrochloride chemical structure, C28H37ClF2N2O2

Methanone,[(3S,4R)-4-(2,4-difluorophenyl)-1-(1,1-dimethylethyl)-3-pyrrolidinyl][(3R,5S)-4-hydroxy-3,5-dimethyl-4-phenyl-1-piperidinyl]hydrochloride

C₂₈H₃₇ClF₂N₂O₂

PF-00446687 hydrochloride chemical structure, C28H37ClF2N2O2

PF-00446687 hydrochloride

C₂₈H₃₇ClF₂N₂O₂