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Murcko scaffold

Ring system with 4 rings and 30 atoms

32 chemicals on CompoundList share this ring system.

Rings: 4
Scaffold atoms: 30
Chemicals: 32
With full pages: 3

Scaffold SMILES

O=C(Nc1ccccn1)C(=O)NC1CCCCC1NC(=O)c1nc2c(s1)CNCC2

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(Nc1ccccn1)C(=O)NC1CCCCC1NC(=O)c1nc2c(s1)CNCC2

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 32 of 32 chemicals

N1-(5-Bromopyridin-2-yl)-N2-((1S,2R,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide chemical structure, C24H30BrN7O4S, CAS 775280-48-3

N1-(5-Bromopyridin-2-yl)-N2-((1S,2R,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide

CAS 775280-48-3C₂₄H₃₀BrN₇O₄S

Edoxaban chemical structure, C24H30ClN7O4S, CAS 480449-70-5

CAS 480449-70-5C₂₄H₃₀ClN₇O₄S

N-(5-Chloro-2-pyridyl)-N'-[(1R,2R,4R)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide chemical structure, C24H30ClN7O4S, CAS 912273-65-5

N-(5-Chloro-2-pyridyl)-N'-[(1R,2R,4R)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide

CAS 912273-65-5C₂₄H₃₀ClN₇O₄S

Edoxaban hydrochloride chemical structure, C24H31Cl2N7O4S, CAS 480448-29-1

Edoxaban hydrochloride

CAS 480448-29-1C₂₄H₃₁Cl₂N₇O₄S

N-Desmethyl edoxaban hydrochloride chemical structure, C23H29Cl2N7O4S, CAS 480449-52-3

N-Desmethyl edoxaban hydrochloride

CAS 480449-52-3C₂₃H₂₉Cl₂N₇O₄S

N-Desmethyl edoxaban chemical structure, C23H28ClN7O4S, CAS 778571-11-2

N-Desmethyl edoxaban

CAS 778571-11-2C₂₃H₂₈ClN₇O₄S

Edoxaban tosylate monohydrate chemical structure, C31H40ClN7O8S2, CAS 1229194-11-9

Edoxaban tosylate monohydrate

CAS 1229194-11-9C₃₁H₄₀ClN₇O₈S₂

Edoxaban impurity 88 chemical structure, C24H29ClN6O5S, CAS 1093351-29-1

Edoxaban impurity 88

CAS 1093351-29-1C₂₄H₂₉ClN₆O₅S

Edoxaban tosylate chemical structure, C31H38ClN7O7S2, CAS 480449-71-6

Edoxaban tosylate

CAS 480449-71-6C₃₁H₃₈ClN₇O₇S₂

RefChem:1092176 chemical structure, C24H30ClN7O4S, CAS 1255529-26-0

RefChem:1092176

CAS 1255529-26-0C₂₄H₃₀ClN₇O₄S

RefChem:1092177 chemical structure, C24H30ClN7O4S, CAS 1255529-27-1

RefChem:1092177

CAS 1255529-27-1C₂₄H₃₀ClN₇O₄S

N1-(5-Chloropyridin-2-yl)-N2-((1R,2R,4R)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide chemical structure, C24H30ClN7O4S, CAS 1255529-24-8

N1-(5-Chloropyridin-2-yl)-N2-((1R,2R,4R)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide

CAS 1255529-24-8C₂₄H₃₀ClN₇O₄S

N1-(5-Chloropyridin-2-yl)-N2-((1R,2S,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide chemical structure, C24H30ClN7O4S, CAS 1255529-25-9

N1-(5-Chloropyridin-2-yl)-N2-((1R,2S,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide

CAS 1255529-25-9C₂₄H₃₀ClN₇O₄S

N1-(5-Chloropyridin-2-yl)-N2-((1S,2S,4R)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide chemical structure, C24H30ClN7O4S, CAS 1255529-28-2

N1-(5-Chloropyridin-2-yl)-N2-((1S,2S,4R)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide

CAS 1255529-28-2C₂₄H₃₀ClN₇O₄S

N1-(5-Chloropyridin-2-yl)-N2-((1R,2R,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide chemical structure, C24H30ClN7O4S, CAS 500572-10-1

N1-(5-Chloropyridin-2-yl)-N2-((1R,2R,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide

CAS 500572-10-1C₂₄H₃₀ClN₇O₄S

N1-(5-Chloropyridin-2-yl)-N2-((1R,2S,4R)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide chemical structure, C24H30ClN7O4S, CAS 1255529-23-7

N1-(5-Chloropyridin-2-yl)-N2-((1R,2S,4R)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)oxalamide

CAS 1255529-23-7C₂₄H₃₀ClN₇O₄S

Edoxaban-d6 chemical structure, C24H30ClN7O4S, CAS 1304701-57-2

CAS 1304701-57-2C₂₄H₃₀ClN₇O₄S

N-Monomethyl edoxaban chemical structure, C23H28ClN7O4S, CAS 740794-83-6

N-Monomethyl edoxaban

CAS 740794-83-6C₂₃H₂₈ClN₇O₄S

Edoxaban m4 metabolite chemical structure, C22H25ClN6O5S, CAS 834919-19-6

Edoxaban m4 metabolite

CAS 834919-19-6C₂₂H₂₅ClN₆O₅S

N1-((1S,2R,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)-n2-(pyridin-2-yl)oxalamide chemical structure, C24H31N7O4S, CAS 2803372-97-4

N1-((1S,2R,4S)-4-(dimethylcarbamoyl)-2-(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxamido)cyclohexyl)-n2-(pyridin-2-yl)oxalamide

CAS 2803372-97-4C₂₄H₃₁N₇O₄S

Edoxaban N-oxide chemical structure, C24H30ClN7O5S, CAS 2244103-96-4

Edoxaban N-oxide

CAS 2244103-96-4C₂₄H₃₀ClN₇O₅S

N'-(5-Chloro-2-pyridinyl)-N-[(1R,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide, 4-methylbenzenesulfonic acid chemical structure, C31H38ClN7O7S2, CAS 2605225-71-4

N'-(5-Chloro-2-pyridinyl)-N-[(1R,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide, 4-methylbenzenesulfonic acid

CAS 2605225-71-4C₃₁H₃₈ClN₇O₇S₂

N'-(5-Chloro-2-pyridinyl)-N-[(1R,2R,4R)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide, 4-methylbenzenesulfonic acid chemical structure, C31H38ClN7O7S2, CAS 2852734-46-2

N'-(5-Chloro-2-pyridinyl)-N-[(1R,2R,4R)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide, 4-methylbenzenesulfonic acid

CAS 2852734-46-2C₃₁H₃₈ClN₇O₇S₂

4-Epi-edoxaban (tosylate) chemical structure, C31H38ClN7O7S2, CAS 2852734-47-3

4-Epi-edoxaban (tosylate)

CAS 2852734-47-3C₃₁H₃₈ClN₇O₇S₂