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Murcko scaffold

Ring system with 4 rings and 17 atoms

27 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 17
Chemicals: 27
With full pages: 3

Scaffold SMILES

c1cn2cnc3c(ncn3C3CCCO3)c2n1

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 c1cn2cnc3c(ncn3C3CCCO3)c2n1

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 27 of 27 chemicals

1,N(6)-Ethenoadenosine chemical structure, C12H13N5O4, CAS 39007-51-7

1,N(6)-Ethenoadenosine

CAS 39007-51-7C₁₂H₁₃N₅O₄

Epsilon-ADP chemical structure, C12H15N5O10P2, CAS 38806-39-2

CAS 38806-39-2C₁₂H₁₅N₅O₁₀P₂

1,N(6)-Ethenodeoxyadenosine monophosphate chemical structure, C12H14N5O6P, CAS 60508-81-8

1,N(6)-Ethenodeoxyadenosine monophosphate

CAS 60508-81-8C₁₂H₁₄N₅O₆P

Etheno-AMP chemical structure, C12H14N5O7P, CAS 37482-16-9

CAS 37482-16-9C₁₂H₁₄N₅O₇P

Palmitoyl-(1,N(6))-ethenocoenzyme A chemical structure, C39H66N7O17P3S, CAS 69680-31-5

Palmitoyl-(1,N(6))-ethenocoenzyme A

CAS 69680-31-5C₃₉H₆₆N₇O₁₇P₃S

Stearoyl-(1,N(6))-etheno-coenzyme A chemical structure, C41H70N7O17P3S, CAS 73945-37-6

Stearoyl-(1,N(6))-etheno-coenzyme A

CAS 73945-37-6C₄₁H₇₀N₇O₁₇P₃S

Ethenoadenylyl imidodiphosphate chemical structure, C12H17N6O12P3, CAS 78368-53-3

Ethenoadenylyl imidodiphosphate

CAS 78368-53-3C₁₂H₁₇N₆O₁₂P₃

2-((4-Bromo-2,3-dioxobutyl)thio)-1,N(6)-ethenoadenosine 2',5'-bisphosphate chemical structure, C16H18BrN5O12P2S, CAS 98088-69-8

2-((4-Bromo-2,3-dioxobutyl)thio)-1,N(6)-ethenoadenosine 2',5'-bisphosphate

CAS 98088-69-8C₁₆H₁₈BrN₅O₁₂P₂S

1,N(6)-Etheno-2'-deoxyadenosine 5'-triphosphate chemical structure, C12H16N5O12P3, CAS 81004-54-8

1,N(6)-Etheno-2'-deoxyadenosine 5'-triphosphate

CAS 81004-54-8C₁₂H₁₆N₅O₁₂P₃

3-(2-Deoxy-3,5-di-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]purine chemical structure, C12H15N5O9P2, CAS 129732-91-8

3-(2-Deoxy-3,5-di-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]purine

CAS 129732-91-8C₁₂H₁₅N₅O₉P₂

Ethenodeoxyadenosine chemical structure, C12H13N5O3, CAS 68498-25-9

Ethenodeoxyadenosine

CAS 68498-25-9C₁₂H₁₃N₅O₃

epsilon-Atp chemical structure, C12H16N5O13P3, CAS 37482-17-0

CAS 37482-17-0C₁₂H₁₆N₅O₁₃P₃

1,N6-Etheno-9-(beta-D-xylofuranosyl)adenosine chemical structure, C12H13N5O4, CAS 2095417-39-1

1,N6-Etheno-9-(beta-D-xylofuranosyl)adenosine

CAS 2095417-39-1C₁₂H₁₃N₅O₄

1-[3-(2-Deoxy-|A-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]purin-7-yl]-1,2-heptanediol chemical structure, C19H27N5O5, CAS 134001-21-1

1-[3-(2-Deoxy-|A-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]purin-7-yl]-1,2-heptanediol

CAS 134001-21-1C₁₉H₂₇N₅O₅

ONEdA chemical structure, C19H25N5O4, CAS 289709-63-3

CAS 289709-63-3C₁₉H₂₅N₅O₄

1,N6-Etheno-2'-deoxy-adenosine 5'-monophosphate sodium salt chemical structure, C12H14N5NaO6P, CAS 103213-55-4

1,N6-Etheno-2'-deoxy-adenosine 5'-monophosphate sodium salt

CAS 103213-55-4C₁₂H₁₄N₅NaO₆P

1,N6-Ethenoadenosine 5'-monophosphate disodium salt chemical structure, C12H14N5NaO7P, CAS 103213-41-8

1,N6-Ethenoadenosine 5'-monophosphate disodium salt

CAS 103213-41-8C₁₂H₁₄N₅NaO₇P

2-(Hydroxymethyl)-5-imidazo[2,1-f]purin-3-yloxolane-3,4-diol, hydrochloride chemical structure, C12H14ClN5O4, CAS 36207-54-2

2-(Hydroxymethyl)-5-imidazo[2,1-f]purin-3-yloxolane-3,4-diol, hydrochloride

CAS 36207-54-2C₁₂H₁₄ClN₅O₄

1,N6-Ethenoadenosine-5'-diphosphate sodium salt chemical structure, C12H12N5Na3O10P2, CAS 103213-52-1

1,N6-Ethenoadenosine-5'-diphosphate sodium salt

CAS 103213-52-1C₁₂H₁₂N₅Na₃O₁₀P₂

1,N6-Ethenoadenosine-5'-monophosphate chemical structure, C12H13N5NaO7P

1,N6-Ethenoadenosine-5'-monophosphate

C₁₂H₁₃N₅NaO₇P

1,N[6]-ethenoadenosine 5'-triphosphate, sodium salt chemical structure, C12H14N5Na2O13P3, CAS 60777-99-3

1,N[6]-ethenoadenosine 5'-triphosphate, sodium salt

CAS 60777-99-3C₁₂H₁₄N₅Na₂O₁₃P₃

Trisodium, [[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-oxidophosphoryl] phosphate chemical structure, C12H12N5Na3O10P2

Trisodium, [[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methoxy-oxidophosphoryl] phosphate

C₁₂H₁₂N₅Na₃O₁₀P₂

(2R,3S,5S)-2-(Hydroxymethyl)-5-(3H-imidazo[2,1-i]purin-3-yl)tetrahydrofuran-3-ol chemical structure, C12H13N5O3, CAS 335163-33-2

(2R,3S,5S)-2-(Hydroxymethyl)-5-(3H-imidazo[2,1-i]purin-3-yl)tetrahydrofuran-3-ol

CAS 335163-33-2C₁₂H₁₃N₅O₃

1,N6-Ethenoadenosine 5/'-monophosphate (sodium salt) chemical structure, C12H12N5Na2O7P, CAS 885597-18-2

1,N6-Ethenoadenosine 5/'-monophosphate (sodium salt)

CAS 885597-18-2C₁₂H₁₂N₅Na₂O₇P