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Murcko scaffold

Ring system with 6 rings and 19 atoms

48 chemicals on CompoundList share this ring system.

Rings
6
Scaffold atoms
19
Chemicals
48
With full pages
5
Scaffold SMILES

O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC2CC21

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(CC12CC3CC(CC(C3)C1)C2)N1CCC2CC21

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 48 of 48 chemicals

3-Deoxy saxagliptin chemical structure, C18H25N3O, CAS 361441-98-7
3-Deoxy saxagliptin
CAS 361441-98-7C18H25N3O
Saxagliptin chemical structure, C18H25N3O2, CAS 361442-04-8
Saxagliptin
CAS 361442-04-8C18H25N3O2
3-[(1S)-2-[(1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hex-2-yl]-2-oxo-1-[(2,2,2-trifluoroacetyl)amino]ethyl]tricyclo[3.3.1.13,7]dec-1-yl 2,2,2-trifluoroacetate chemical structure, C22H23F6N3O4, CAS 865999-68-4
3-[(1S)-2-[(1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hex-2-yl]-2-oxo-1-[(2,2,2-trifluoroacetyl)amino]ethyl]tricyclo[3.3.1.13,7]dec-1-yl 2,2,2-trifluoroacetate
CAS 865999-68-4C22H23F6N3O4
(1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile 2,2,2-trifluoroacetate (1:1) chemical structure, C20H26F3N3O4, CAS 361442-05-9
(1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile 2,2,2-trifluoroacetate (1:1)
CAS 361442-05-9C20H26F3N3O4
(1S,3S,5S)-2-((2S)-2-Amino-2-(3,5-dihydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile 2,2,2-trifluoroacetate(1:1) chemical structure, C20H26F3N3O5, CAS 841302-57-6
(1S,3S,5S)-2-((2S)-2-Amino-2-(3,5-dihydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile 2,2,2-trifluoroacetate(1:1)
CAS 841302-57-6C20H26F3N3O5
(1S,3S,5S)-2-((2S)-2-Amino-2-(3,5-dihydroxytricyclo(3.3.1.13,7)dec-1-yl)acetyl)-2-azabicyclo(3.1.0)hexane-3-carbonitrile chemical structure, C18H25N3O3, CAS 841302-24-7
(1S,3S,5S)-2-((2S)-2-Amino-2-(3,5-dihydroxytricyclo(3.3.1.13,7)dec-1-yl)acetyl)-2-azabicyclo(3.1.0)hexane-3-carbonitrile
CAS 841302-24-7C18H25N3O3
(2'S,2R,cis)-Saxagliptin chemical structure, C18H25N3O2, CAS 1564265-94-6
(2'S,2R,cis)-Saxagliptin
CAS 1564265-94-6C18H25N3O2
Saxagliptin hydrochloride chemical structure, C18H26ClN3O2, CAS 709031-78-7
Saxagliptin hydrochloride
CAS 709031-78-7C18H26ClN3O2
Boc-saxagliptin chemical structure, C23H33N3O4, CAS 709031-43-6
Boc-saxagliptin
CAS 709031-43-6C23H33N3O4
Saxagliptin hydrate chemical structure, C18H27N3O3, CAS 945667-22-1
Saxagliptin hydrate
CAS 945667-22-1C18H27N3O3
1,1-Dimethylethyl N-[(1S)-2-[(1S,3S,5S)-3-(aminocarbonyl)-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]carbamate chemical structure, C23H35N3O5, CAS 361442-01-5
1,1-Dimethylethyl N-[(1S)-2-[(1S,3S,5S)-3-(aminocarbonyl)-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]carbamate
CAS 361442-01-5C23H35N3O5
Metformin hydrochloride, saxagliptin hydrochloride chemical structure, C22H36N8O2, CAS 1198772-17-6
Metformin hydrochloride, saxagliptin hydrochloride
CAS 1198772-17-6C22H36N8O2
Saxagliptin-13C3 chemical structure, C18H25N3O2, CAS 1564265-98-0
Saxagliptin-13C3
CAS 1564265-98-0C18H25N3O2
(2'R,2S,cis)-Saxagliptin chemical structure, C18H25N3O2, CAS 1564265-93-5
(2'R,2S,cis)-Saxagliptin
CAS 1564265-93-5C18H25N3O2
(1R,3S,5R)-2-((S)-2-Amino-2-((1r,3R,5R,7S)-3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile chemical structure, C18H25N3O2, CAS 1564265-96-8
(1R,3S,5R)-2-((S)-2-Amino-2-((1r,3R,5R,7S)-3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CAS 1564265-96-8C18H25N3O2
(1S,3R,5S)-2-[(2S)-2-Amino-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile chemical structure, C18H25N3O2, CAS 1564266-00-7
(1S,3R,5S)-2-[(2S)-2-Amino-2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CAS 1564266-00-7C18H25N3O2
3-Descarbonitrile 3-acetamido saxagliptin chemical structure, C18H27N3O3, CAS 1496712-39-0
3-Descarbonitrile 3-acetamido saxagliptin
CAS 1496712-39-0C18H27N3O3
(1S,3R,5S)-2-[(2S)-2-Amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile chemical structure, C18H25N3O2
(1S,3R,5S)-2-[(2S)-2-Amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
C18H25N3O2
(1R,3S,5R)-2-((2R)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile chemical structure, C18H25N3O2
(1R,3S,5R)-2-((2R)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
C18H25N3O2
(2'R,2R,cis)-Saxagliptin chemical structure, C18H25N3O2, CAS 1564265-95-7
(2'R,2R,cis)-Saxagliptin
CAS 1564265-95-7C18H25N3O2
(2'R,2R,trans)-Saxagliptin chemical structure, C18H25N3O2, CAS 1564266-03-0
(2'R,2R,trans)-Saxagliptin
CAS 1564266-03-0C18H25N3O2
(2S,2S',trans)-Saxagliptin chemical structure, C18H25N3O2
(2S,2S',trans)-Saxagliptin
C18H25N3O2
Saxagliptin benzoate hydrate chemical structure, C25H33N3O5, CAS 1073057-33-6
Saxagliptin benzoate hydrate
CAS 1073057-33-6C25H33N3O5
Saxagliptin hydrochloride dihydrate chemical structure, C18H30ClN3O4, CAS 1073057-20-1
Saxagliptin hydrochloride dihydrate
CAS 1073057-20-1C18H30ClN3O4