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Murcko scaffold

Ring system with 3 rings and 18 atoms

6 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 18
Chemicals: 6
With full pages: 6

Scaffold SMILES

O=C1NC=NC1=Cc1ccc(-n2cncn2)cc1

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=NC1=Cc1ccc(-n2cncn2)cc1

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 6 of 6 chemicals

Ethyl 2-[(4E)-1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazol-2-yl]sulfanylacetate chemical structure, C18H17N5O4S, CAS 860784-27-6

Ethyl 2-[(4E)-1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazol-2-yl]sulfanylacetate

CAS 860784-27-6C₁₈H₁₇N₅O₄S

Methyl (E)-4-[(5-oxo-4-{(E)-[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]-2-butenoate chemical structure, C17H15N5O3S, CAS 1164520-68-6

Methyl (E)-4-[(5-oxo-4-{(E)-[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]-2-butenoate

CAS 1164520-68-6C₁₇H₁₅N₅O₃S

Ethyl 2-[(5-oxo-4-{(E)-[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]acetate chemical structure, C16H15N5O3S, CAS 1164552-90-2

Ethyl 2-[(5-oxo-4-{(E)-[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]acetate

CAS 1164552-90-2C₁₆H₁₅N₅O₃S

2-[(3-Fluoropropyl)sulfanyl]-5-{(E)-[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-3,5-dihydro-4H-imidazol-4-one chemical structure, C15H14FN5OS, CAS 860648-85-7

2-[(3-Fluoropropyl)sulfanyl]-5-{(E)-[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-3,5-dihydro-4H-imidazol-4-one

CAS 860648-85-7C₁₅H₁₄FN₅OS

2-(Methylsulfanyl)-5-{(E)-[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-3,5-dihydro-4H-imidazol-4-one chemical structure, C13H11N5OS, CAS 860649-09-8

2-(Methylsulfanyl)-5-{(E)-[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-3,5-dihydro-4H-imidazol-4-one

CAS 860649-09-8C₁₃H₁₁N₅OS

Methyl 2-[(5-oxo-4-{(E)-[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]propanoate chemical structure, C16H15N5O3S, CAS 860784-29-8

Methyl 2-[(5-oxo-4-{(E)-[4-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]propanoate

CAS 860784-29-8C₁₆H₁₅N₅O₃S