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Murcko scaffold

Ring system with 5 rings and 35 atoms

9 chemicals on CompoundList share this ring system.

Rings: 5
Scaffold atoms: 35
Chemicals: 9
With full pages: 3

Scaffold SMILES

O=c1[nH]cnc2c1ncn2C1CCC(CO[PH](=O)O[PH](=O)OCC2CCC([n+]3ccccc3)O2)O1

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=c1[nH]cnc2c1ncn2C1CCC(CO[PH](=O)O[PH](=O)OCC2CCC([n+]3ccccc3)O2)O1

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

Pyridinium, 3-carbamoyl-1-beta-D-ribofuranosyl-, hydroxide, 5'->5'-ester with inosine 5'-(trihydrogen pyrophosphate)- chemical structure, C21H27N6O15P2+, CAS 13586-58-8

Pyridinium, 3-carbamoyl-1-beta-D-ribofuranosyl-, hydroxide, 5'->5'-ester with inosine 5'-(trihydrogen pyrophosphate)-

CAS 13586-58-8C₂₁H₂₇N₆O₁₅P₂+

Nicotinamide-hypoxanthine dinucleotide chemical structure, C21H27N6O15P2+, CAS 22052-73-9

Nicotinamide-hypoxanthine dinucleotide

CAS 22052-73-9C₂₁H₂₇N₆O₁₅P₂+

Deamino NADP chemical structure, C21H27N6O18P3, CAS 6739-64-6

CAS 6739-64-6C₂₁H₂₇N₆O₁₈P₃

Nicotinamide purin-6-ol-dinucleotide chemical structure, C21H26N6O15P2, CAS 1851-07-6

Nicotinamide purin-6-ol-dinucleotide

CAS 1851-07-6C₂₁H₂₆N₆O₁₅P₂

Nicotinamide guanine dinucleotide chemical structure, C21H27N7O15P2, CAS 5624-35-1

Nicotinamide guanine dinucleotide

CAS 5624-35-1C₂₁H₂₇N₇O₁₅P₂

Disodium, [(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxy-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate chemical structure, C21H25N6Na2O18P3

Disodium, [(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxy-2-(6-oxo-1H-purin-9-yl)oxolan-3-yl] hydrogen phosphate

C₂₁H₂₅N₆Na₂O₁₈P₃

3-Acetylpyridine deamino NAD chemical structure, C22H27N5O15P2, CAS 4002-09-9

3-Acetylpyridine deamino NAD

CAS 4002-09-9C₂₂H₂₇N₅O₁₅P₂

Sodium [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate chemical structure, C21H26N7NaO15P2, CAS 2600354-60-5

Sodium [[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

CAS 2600354-60-5C₂₁H₂₆N₇NaO₁₅P₂

1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium, sodium salt chemical structure, C21H27N7NaO15P2

1-((2R,3R,4S,5R)-5-((((((((2R,3S,4R,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)oxidophosphoryl)oxy)methyl)-3,4-dihydroxytetrahydrofuran-2-yl)-3-carbamoylpyridin-1-ium, sodium salt

C₂₁H₂₇N₇NaO₁₅P₂