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Murcko scaffold

Ring system with 3 rings and 22 atoms

22 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 22
Chemicals: 22
With full pages: 3

Scaffold SMILES

O=C1COc2c(CCNCCc3ccccc3)cccc2N1

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=C1COc2c(CCNCCc3ccccc3)cccc2N1

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 22 of 22 chemicals

6-Hydroxy-8-(1-hydroxy-2-((1-(4-methoxyphenyl)-2-methylpropan-2-yl)amino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C21H26N2O5, CAS 693273-05-1

6-Hydroxy-8-(1-hydroxy-2-((1-(4-methoxyphenyl)-2-methylpropan-2-yl)amino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS 693273-05-1C₂₁H₂₆N₂O₅

2H-1,4-Benzoxazin-3(4H)-one,8-[2-[[2-[4-(dimethylamino)phenyl]-1,1-dimethylethyl]amino]-1-hydroxyethyl]-5-hydroxy- chemical structure, C22H29N3O4, CAS 371754-04-0

2H-1,4-Benzoxazin-3(4H)-one,8-[2-[[2-[4-(dimethylamino)phenyl]-1,1-dimethylethyl]amino]-1-hydroxyethyl]-5-hydroxy-

CAS 371754-04-0C₂₂H₂₉N₃O₄

2H-1,4-Benzoxazin-3(4H)-one,5-hydroxy-8-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethylethyl]amino]ethyl]- chemical structure, C21H26N2O5, CAS 371754-09-5

2H-1,4-Benzoxazin-3(4H)-one,5-hydroxy-8-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethylethyl]amino]ethyl]-

CAS 371754-09-5C₂₁H₂₆N₂O₅

2H-1,4-Benzoxazin-3(4H)-one,8-[2-[[2-(4-butoxyphenyl)-1,1-dimethylethyl]amino]-1-hydroxyethyl]-5-hydroxy- chemical structure, C24H32N2O5, CAS 371754-06-2

2H-1,4-Benzoxazin-3(4H)-one,8-[2-[[2-(4-butoxyphenyl)-1,1-dimethylethyl]amino]-1-hydroxyethyl]-5-hydroxy-

CAS 371754-06-2C₂₄H₃₂N₂O₅

Olodaterol chemical structure, C21H26N2O5, CAS 868049-49-4

CAS 868049-49-4C₂₁H₂₆N₂O₅

8-{2-[2-(4-Bromophenyl)-1,1-dimethylethylamino]-1-hydroxyethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-one chemical structure, C20H23BrN2O4, CAS 868050-02-6

8-{2-[2-(4-Bromophenyl)-1,1-dimethylethylamino]-1-hydroxyethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-one

CAS 868050-02-6C₂₀H₂₃BrN₂O₄

rac-8-(2-(1-(4-Ethoxyphenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-6-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C22H28N2O5, CAS 868125-34-2

rac-8-(2-(1-(4-Ethoxyphenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-6-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS 868125-34-2C₂₂H₂₈N₂O₅

rac-6-Hydroxy-8-(1-hydroxy-2-(1-(4-isopropylphenyl)-2-methylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C23H30N2O4, CAS 868125-18-2

rac-6-Hydroxy-8-(1-hydroxy-2-(1-(4-isopropylphenyl)-2-methylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS 868125-18-2C₂₃H₃₀N₂O₄

rac-8-(2-(1-(4-Ethylphenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-6-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C22H28N2O4, CAS 868125-20-6

rac-8-(2-(1-(4-Ethylphenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-6-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS 868125-20-6C₂₂H₂₈N₂O₄

rac-8-(2-(1-(4-Chlorophenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-6-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C20H23ClN2O4, CAS 868050-01-5

rac-8-(2-(1-(4-Chlorophenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-6-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS 868050-01-5C₂₀H₂₃ClN₂O₄

Olodaterol hydrochloride chemical structure, C21H27ClN2O5, CAS 869477-96-3

Olodaterol hydrochloride

CAS 869477-96-3C₂₁H₂₇ClN₂O₅

Stiolto respimat chemical structure, C40H48BrN3O9S2, CAS 1589477-29-1

Stiolto respimat

CAS 1589477-29-1C₄₀H₄₈BrN₃O₉S₂

3-(2-(2-Hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)-2-methylpropyl)benzoic acid chemical structure, C21H24N2O6, CAS 1202235-80-0

3-(2-(2-Hydroxy-2-(5-hydroxy-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)ethylamino)-2-methylpropyl)benzoic acid

CAS 1202235-80-0C₂₁H₂₄N₂O₆

5-Hydroxy-8-(1-hydroxy-2-(2-methyl-1-phenylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C20H24N2O4, CAS 1202235-67-3

5-Hydroxy-8-(1-hydroxy-2-(2-methyl-1-phenylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS 1202235-67-3C₂₀H₂₄N₂O₄

5-Hydroxy-8-[1-hydroxy-2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one chemical structure, C21H26N2O4, CAS 1202235-68-4

5-Hydroxy-8-[1-hydroxy-2-[[2-methyl-1-(2-methylphenyl)propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one

CAS 1202235-68-4C₂₁H₂₆N₂O₄

rac-6-Hydroxy-8-(1-hydroxy-2-(2-methyl-1-phenylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C20H24N2O4, CAS 1218792-73-4

rac-6-Hydroxy-8-(1-hydroxy-2-(2-methyl-1-phenylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS 1218792-73-4C₂₀H₂₄N₂O₄

rac-6-Hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C21H26N2O4, CAS 1218792-74-5

rac-6-Hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS 1218792-74-5C₂₁H₂₆N₂O₄

rac-8-(2-(1-(4-tert-Butylphenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-6-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C24H32N2O4, CAS 1218792-75-6

rac-8-(2-(1-(4-tert-Butylphenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-6-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS 1218792-75-6C₂₄H₃₂N₂O₄

(S)-6-Hydroxy-8-(1-hydroxy-2-(1-(4-methoxyphenyl)-2-methylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C21H26N2O5, CAS 868049-50-7

(S)-6-Hydroxy-8-(1-hydroxy-2-(1-(4-methoxyphenyl)-2-methylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS 868049-50-7C₂₁H₂₆N₂O₅

rac-6-Hydroxy-8-(1-hydroxy-2-(1-(3-methoxyphenyl)-2-methylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one chemical structure, C21H26N2O5, CAS 1218792-81-4

rac-6-Hydroxy-8-(1-hydroxy-2-(1-(3-methoxyphenyl)-2-methylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one

CAS 1218792-81-4C₂₁H₂₆N₂O₅

2H-1,4-Benzoxazin-3(4H)-one, 6-hydroxy-8-((1R)-1-hydroxy-2-((2-(4-hydroxyphenyl)-1,1-dimethylethyl)amino)ethyl)- chemical structure, C20H24N2O5, CAS 869493-97-0

2H-1,4-Benzoxazin-3(4H)-one, 6-hydroxy-8-((1R)-1-hydroxy-2-((2-(4-hydroxyphenyl)-1,1-dimethylethyl)amino)ethyl)-

CAS 869493-97-0C₂₀H₂₄N₂O₅

N-Nitroso olodaterol chemical structure, C21H25N3O6, CAS 3105679-57-7

N-Nitroso olodaterol

CAS 3105679-57-7C₂₁H₂₅N₃O₆