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Murcko scaffold

Ring system with 3 rings and 17 atoms

35 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
17
Chemicals
35
With full pages
3
Scaffold SMILES

O=C1NC(=S)SC1=Cc1ccc2c(c1)OCO2

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=C1NC(=S)SC1=Cc1ccc2c(c1)OCO2

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 35 of 35 chemicals

3-[(5E)-5-(1,3-Benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid chemical structure, C14H11NO5S2, CAS 1322263-33-1
3-[(5E)-5-(1,3-Benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
CAS 1322263-33-1C14H11NO5S2
(Z)-4-(5-(Benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid chemical structure, C15H13NO5S2, CAS 314751-79-6
(Z)-4-(5-(Benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
CAS 314751-79-6C15H13NO5S2
(5E)-5-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]-2-mercapto-1,3-thiazol-4(5H)-one chemical structure, C11H6ClNO3S2
(5E)-5-[(6-Chloro-1,3-benzodioxol-5-yl)methylene]-2-mercapto-1,3-thiazol-4(5H)-one
C11H6ClNO3S2
(5Z)-5-[(6-Chloro-1,3-benzodioxol-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one chemical structure, C11H6ClNO3S2, CAS 292172-54-4
(5Z)-5-[(6-Chloro-1,3-benzodioxol-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
CAS 292172-54-4C11H6ClNO3S2
(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C11H7NO3S2, CAS 28824-66-0
(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CAS 28824-66-0C11H7NO3S2
(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C11H7NO3S2, CAS 181765-64-0
(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
CAS 181765-64-0C11H7NO3S2
(5E)-5-[(6-Bromo-1,3-benzodioxol-5-yl)methylene]-2-mercapto-1,3-thiazol-4(5H)-one chemical structure, C11H6BrNO3S2, CAS 202264-60-6
(5E)-5-[(6-Bromo-1,3-benzodioxol-5-yl)methylene]-2-mercapto-1,3-thiazol-4(5H)-one
CAS 202264-60-6C11H6BrNO3S2
(5Z)-5-[(6-Bromo-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C11H6BrNO3S2
(5Z)-5-[(6-Bromo-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
C11H6BrNO3S2
(Z)-6-(5-(Benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid chemical structure, C17H17NO5S2, CAS 307539-02-2
(Z)-6-(5-(Benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid
CAS 307539-02-2C17H17NO5S2
Propyl 3-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate chemical structure, C17H17NO5S2, CAS 307542-08-1
Propyl 3-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
CAS 307542-08-1C17H17NO5S2
N-[(5Z)-5-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide chemical structure, C13H9N3O6S2, CAS 306279-89-0
N-[(5Z)-5-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CAS 306279-89-0C13H9N3O6S2
N'-Acetyl-4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanehydrazide chemical structure, C17H17N3O5S2, CAS 308292-34-4
N'-Acetyl-4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanehydrazide
CAS 308292-34-4C17H17N3O5S2
(Z)-Methyl 3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate chemical structure, C15H13NO5S2, CAS 300812-74-2
(Z)-Methyl 3-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoate
CAS 300812-74-2C15H13NO5S2
5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one chemical structure, C14H13NO4S2, CAS 5854-85-3
5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one
CAS 5854-85-3C14H13NO4S2
5-Benzo[1,3]dioxol-5-ylmethylene-3-ethyl-2-thioxo-thiazolidin-4-one chemical structure, C13H11NO3S2, CAS 1351581-13-9
5-Benzo[1,3]dioxol-5-ylmethylene-3-ethyl-2-thioxo-thiazolidin-4-one
CAS 1351581-13-9C13H11NO3S2
(5E)-5-[(6-Methoxy-1,3-benzodioxol-5-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C15H13NO4S2, CAS 676247-83-9
(5E)-5-[(6-Methoxy-1,3-benzodioxol-5-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CAS 676247-83-9C15H13NO4S2
(5E)-5-[(6-Bromo-1,3-benzodioxol-5-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C14H10BrNO3S2, CAS 332406-91-4
(5E)-5-[(6-Bromo-1,3-benzodioxol-5-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CAS 332406-91-4C14H10BrNO3S2
(5Z)-3-Allyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-thiazolidin-4-one chemical structure, C14H10N2O5S2, CAS 335059-84-2
(5Z)-3-Allyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-thiazolidin-4-one
CAS 335059-84-2C14H10N2O5S2
(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C15H15NO3S2, CAS 293325-78-7
(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
CAS 293325-78-7C15H15NO3S2
(5Z)-5-[(6-Chloro-1,3-benzodioxol-5-yl)methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C14H12ClNO4S2, CAS 431977-20-7
(5Z)-5-[(6-Chloro-1,3-benzodioxol-5-yl)methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CAS 431977-20-7C14H12ClNO4S2
5-[(6-Chloro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one chemical structure, C11H6ClNO3S2
5-[(6-Chloro-1,3-benzodioxol-5-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
C11H6ClNO3S2
5-[(6-Bromo-1,3-benzodioxol-5-yl)methylene]-2-thioxo-thiazolidin-4-one chemical structure, C11H6BrNO3S2
5-[(6-Bromo-1,3-benzodioxol-5-yl)methylene]-2-thioxo-thiazolidin-4-one
C11H6BrNO3S2
(Z)-2-(5-(Benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid chemical structure, C13H11NO6S3, CAS 868148-16-7
(Z)-2-(5-(Benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid
CAS 868148-16-7C13H11NO6S3
(Z)-2-(5-(Benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)succinic acid chemical structure, C15H11NO7S2, CAS 872696-44-1
(Z)-2-(5-(Benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)succinic acid
CAS 872696-44-1C15H11NO7S2