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Murcko scaffold

Ring system with 3 rings and 15 atoms

46 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 15
Chemicals: 46
With full pages: 9

Scaffold SMILES

O=c1cc[nH]n1-c1nc2ccccc2s1

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=c1cc[nH]n1-c1nc2ccccc2s1

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 46 of 46 chemicals

Ethyl 2-[2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate chemical structure, C14H13N3O3S, CAS 525581-82-2

Ethyl 2-[2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetate

CAS 525581-82-2C₁₄H₁₃N₃O₃S

1-(1,3-Benzothiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-ol chemical structure, C11H6F3N3OS, CAS 311812-88-1

1-(1,3-Benzothiazol-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-ol

CAS 311812-88-1C₁₁H₆F₃N₃OS

Methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate chemical structure, C15H13N3O4S, CAS 523992-07-6

Methyl [(4Z)-1-(1,3-benzothiazol-2-yl)-4-(1-hydroxyethylidene)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate

CAS 523992-07-6C₁₅H₁₃N₃O₄S

2-[4-Acetyl-2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid chemical structure, C14H11N3O4S, CAS 523992-10-1

2-[4-Acetyl-2-(1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetic acid

CAS 523992-10-1C₁₄H₁₁N₃O₄S

1-(1,3-Benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol chemical structure, C11H9N3OS, CAS 106515-46-2

1-(1,3-Benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-ol

CAS 106515-46-2C₁₁H₉N₃OS

Methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate chemical structure, C13H11N3O3S, CAS 523992-06-5

Methyl [1-(1,3-benzothiazol-2-yl)-5-hydroxy-1H-pyrazol-3-yl]acetate

CAS 523992-06-5C₁₃H₁₁N₃O₃S

1-(1,3-Benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol chemical structure, C13H13N3OS, CAS 313362-05-9

1-(1,3-Benzothiazol-2-yl)-3-propyl-1H-pyrazol-5-ol

CAS 313362-05-9C₁₃H₁₃N₃OS

(4E)-2-(1,3-Benzothiazol-2-yl)-4-{[(3-hydroxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one chemical structure, C17H20N4O2S, CAS 5969-18-6

(4E)-2-(1,3-Benzothiazol-2-yl)-4-{[(3-hydroxypropyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one

CAS 5969-18-6C₁₇H₂₀N₄O₂S

(4E)-2-(1,3-Benzothiazol-2-yl)-4-[[3-(diethylamino)propylamino]methylidene]-5-propylpyrazol-3-one chemical structure, C21H29N5OS, CAS 337341-52-3

(4E)-2-(1,3-Benzothiazol-2-yl)-4-[[3-(diethylamino)propylamino]methylidene]-5-propylpyrazol-3-one

CAS 337341-52-3C₂₁H₂₉N₅OS

2-(1,3-Benzothiazol-2-yl)-5-propyl-4-[(E)-(propylimino)methyl]-1,2-dihydro-3H-pyrazol-3-one chemical structure, C17H20N4OS, CAS 351162-61-3

2-(1,3-Benzothiazol-2-yl)-5-propyl-4-[(E)-(propylimino)methyl]-1,2-dihydro-3H-pyrazol-3-one

CAS 351162-61-3C₁₇H₂₀N₄OS

(4Z)-2-(1,3-Benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one chemical structure, C15H16N4O2S, CAS 299443-56-4

(4Z)-2-(1,3-Benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)amino]ethylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one

CAS 299443-56-4C₁₅H₁₆N₄O₂S

(4E)-2-(1,3-Benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one chemical structure, C18H20F3N5OS, CAS 353475-24-8

(4E)-2-(1,3-Benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one

CAS 353475-24-8C₁₈H₂₀F₃N₅OS

2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one chemical structure, C11H8FN3OS, CAS 92537-77-4

2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

CAS 92537-77-4C₁₁H₈FN₃OS

4-Chloro-2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one chemical structure, C11H7ClFN3OS, CAS 92537-80-9

4-Chloro-2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

CAS 92537-80-9C₁₁H₇ClFN₃OS

(2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid chemical structure, C13H10FN3O3S, CAS 92537-81-0

(2-(6-Fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid

CAS 92537-81-0C₁₃H₁₀FN₃O₃S

1-(1,3-Benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol chemical structure, C15H17N3OS, CAS 106690-13-5

1-(1,3-Benzothiazol-2-yl)-4-butyl-3-methyl-1H-pyrazol-5-ol

CAS 106690-13-5C₁₅H₁₇N₃OS

(2-(1,3-Benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid chemical structure, C13H11N3O3S, CAS 84968-78-5

(2-(1,3-Benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid

CAS 84968-78-5C₁₃H₁₁N₃O₃S

(2-(6-Chloro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid chemical structure, C13H10ClN3O3S, CAS 84968-79-6

(2-(6-Chloro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid

CAS 84968-79-6C₁₃H₁₀ClN₃O₃S

(2-(6-Methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid chemical structure, C14H13N3O4S, CAS 84968-80-9

(2-(6-Methoxy-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid

CAS 84968-80-9C₁₄H₁₃N₃O₄S

(5-Methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid chemical structure, C13H10N4O5S, CAS 84968-81-0

(5-Methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid

CAS 84968-81-0C₁₃H₁₀N₄O₅S

1-(1,3-Benzothiazol-2-yl)-3,4-dimethyl-1H-pyrazol-5-ol chemical structure, C12H11N3OS, CAS 890593-68-7

1-(1,3-Benzothiazol-2-yl)-3,4-dimethyl-1H-pyrazol-5-ol

CAS 890593-68-7C₁₂H₁₁N₃OS

(4Z)-2-(1,3-Benzothiazol-2-yl)-4-[1-(3-hydroxypropylamino)propylidene]-5-(trifluoromethyl)pyrazol-3-one chemical structure, C17H17F3N4O2S, CAS 332861-60-6

(4Z)-2-(1,3-Benzothiazol-2-yl)-4-[1-(3-hydroxypropylamino)propylidene]-5-(trifluoromethyl)pyrazol-3-one

CAS 332861-60-6C₁₇H₁₇F₃N₄O₂S

N'-{1-[1-(1,3-Benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide chemical structure, C18H18F3N5O2S, CAS 377065-30-0

N'-{1-[1-(1,3-Benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}-3-methylbutanohydrazide

CAS 377065-30-0C₁₈H₁₈F₃N₅O₂S

(4Z)-2-(1,3-Benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one chemical structure, C15H13F3N4O2S, CAS 354767-79-6

(4Z)-2-(1,3-Benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one

CAS 354767-79-6C₁₅H₁₃F₃N₄O₂S