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Murcko scaffold

Ring system with 3 rings and 20 atoms

19 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 20
Chemicals: 19
With full pages: 2

Scaffold SMILES

O=C(NCC1NCCS1)c1conc1-c1ccccc1

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(NCC1NCCS1)c1conc1-c1ccccc1

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 19 of 19 chemicals

(2R,4S)-2-[(R)-Carboxy-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid chemical structure, C19H20ClN3O6S, CAS 38977-94-5

(2R,4S)-2-[(R)-Carboxy-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

CAS 38977-94-5C₁₉H₂₀ClN₃O₆S

Cloxacillin impurity 25 chemical structure, C19H20ClN3O6S, CAS 68728-49-4

Cloxacillin impurity 25

CAS 68728-49-4C₁₉H₂₀ClN₃O₆S

(4S)-2-((3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid chemical structure, C18H19ClFN3O4S, CAS 1276016-89-7

(4S)-2-((3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid

CAS 1276016-89-7C₁₈H₁₉ClFN₃O₄S

(5R)-Flucloxacillin penilloic acid chemical structure, C19H19ClFN3O6S

(5R)-Flucloxacillin penilloic acid

C₁₉H₁₉ClFN₃O₆S

[2R-[2alpha(R*),4beta]]-4-carboxy-alpha-[[[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-2-thiazolidineacetic Acid chemical structure, C19H19ClFN3O6S

[2R-[2alpha(R*),4beta]]-4-carboxy-alpha-[[[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-2-thiazolidineacetic Acid

C₁₉H₁₉ClFN₃O₆S

Flucloxacillin impurity 7 chemical structure, C19H19ClFN3O6S, CAS 42947-70-6

Flucloxacillin impurity 7

CAS 42947-70-6C₁₉H₁₉ClFN₃O₆S

Dicloxacilloic acid chemical structure, C19H19Cl2N3O6S, CAS 42947-69-3

Dicloxacilloic acid

CAS 42947-69-3C₁₉H₁₉Cl₂N₃O₆S

[3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl N3-Acetylpenicilloic Acid chemical structure, C21H21Cl2N3O7S, CAS 934986-84-2

[3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl N3-Acetylpenicilloic Acid

CAS 934986-84-2C₂₁H₂₁Cl₂N₃O₇S

(2R,4S)-2-[Carboxy-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid chemical structure, C19H19ClFN3O6S

(2R,4S)-2-[Carboxy-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C₁₉H₁₉ClFN₃O₆S

(4S)-2-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid chemical structure, C18H20ClN3O4S, CAS 1642559-64-5

(4S)-2-((3-(2-Chlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid

CAS 1642559-64-5C₁₈H₂₀ClN₃O₄S

Cloxacillin penicilloic acid chemical structure, C19H20ClN3O6S, CAS 1642629-96-6

Cloxacillin penicilloic acid

CAS 1642629-96-6C₁₉H₂₀ClN₃O₆S

(4S)-2-(Carboxy(5-methyl-3-phenylisoxazole-4-carboxamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid chemical structure, C19H21N3O6S, CAS 1642629-95-5

(4S)-2-(Carboxy(5-methyl-3-phenylisoxazole-4-carboxamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid

CAS 1642629-95-5C₁₉H₂₁N₃O₆S

(4S)-5,5-Dimethyl-2-[[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]methyl]-4-thiazolidinecarboxylic acid chemical structure, C18H21N3O4S, CAS 1642559-63-4

(4S)-5,5-Dimethyl-2-[[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]methyl]-4-thiazolidinecarboxylic acid

CAS 1642559-63-4C₁₈H₂₁N₃O₄S

(4S)-Dicloxilloic acid chemical structure, C18H19Cl2N3O4S, CAS 1642576-88-2

(4S)-Dicloxilloic acid

CAS 1642576-88-2C₁₈H₁₉Cl₂N₃O₄S

(4S)-2-(Carboxy(3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid chemical structure, C19H19Cl2N3O6S, CAS 2088415-70-5

(4S)-2-(Carboxy(3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid

CAS 2088415-70-5C₁₉H₁₉Cl₂N₃O₆S

2-Thiazolidineacetic acid, 4-carboxy-I+/--[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-, sodium salt (1:2) chemical structure, C19H17ClFN3Na2O6S

2-Thiazolidineacetic acid, 4-carboxy-I+/--[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-, sodium salt (1:2)

C₁₉H₁₇ClFN₃Na₂O₆S

Url2jtc2GE chemical structure, C18H19ClFN3O4S, CAS 2125725-83-7

CAS 2125725-83-7C₁₈H₁₉ClFN₃O₄S

Dicloxacillin sodium impurity 17 (dicloxilloic acid) chemical structure, C18H19Cl2N3O4S, CAS 89353-77-5

Dicloxacillin sodium impurity 17 (dicloxilloic acid)

CAS 89353-77-5C₁₈H₁₉Cl₂N₃O₄S

2-Thiazolidineacetic acid, 4-carboxy-alpha-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-, sodium salt (1:2) chemical structure, C19H19ClFN3NaO6S, CAS 68728-50-7

2-Thiazolidineacetic acid, 4-carboxy-alpha-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-5,5-dimethyl-, sodium salt (1:2)

CAS 68728-50-7C₁₉H₁₉ClFN₃NaO₆S