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Murcko scaffold

Ring system with 3 rings and 17 atoms

18 chemicals on CompoundList share this ring system.

Rings: 3
Scaffold atoms: 17
Chemicals: 18
With full pages: 3

Scaffold SMILES

O=c1[nH]c(=O)c2c(-c3ccccc3)[nH]cc2[nH]1

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=c1[nH]c(=O)c2c(-c3ccccc3)[nH]cc2[nH]1

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 18 of 18 chemicals

6-Ethyl-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione chemical structure, C16H17N3O2, CAS 618436-49-0

6-Ethyl-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

CAS 618436-49-0C₁₆H₁₇N₃O₂

N-[5-(4-Methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetamide chemical structure, C17H18N4O4, CAS 663929-12-2

N-[5-(4-Methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrrolo[3,4-d]pyrimidin-6-yl]acetamide

CAS 663929-12-2C₁₇H₁₈N₄O₄

6-tert-Butyl-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione chemical structure, C18H21N3O2, CAS 664970-91-6

6-tert-Butyl-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

CAS 664970-91-6C₁₈H₂₁N₃O₂

1,3-Dimethyl-5-phenyl-6-propylpyrrolo[3,4-d]pyrimidine-2,4-dione chemical structure, C17H19N3O2, CAS 672266-38-5

1,3-Dimethyl-5-phenyl-6-propylpyrrolo[3,4-d]pyrimidine-2,4-dione

CAS 672266-38-5C₁₇H₁₉N₃O₂

6-Ethyl-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione chemical structure, C17H19N3O3, CAS 671771-35-0

6-Ethyl-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

CAS 671771-35-0C₁₇H₁₉N₃O₃

N-(1,3-Dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetamide chemical structure, C16H16N4O3, CAS 443666-67-9

N-(1,3-Dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetamide

CAS 443666-67-9C₁₆H₁₆N₄O₃

6-(2-Hydroxyethyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione chemical structure, C16H17N3O3, CAS 848217-05-0

6-(2-Hydroxyethyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

CAS 848217-05-0C₁₆H₁₇N₃O₃

6-(2-Bromoethyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione chemical structure, C16H16BrN3O2, CAS 585556-72-5

6-(2-Bromoethyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

CAS 585556-72-5C₁₆H₁₆BrN₃O₂

6-(2-Bromoethyl)-1,3-dimethyl-5-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione chemical structure, C17H18BrN3O2, CAS 587009-76-5

6-(2-Bromoethyl)-1,3-dimethyl-5-(4-methylphenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

CAS 587009-76-5C₁₇H₁₈BrN₃O₂

5-(4-tert-Butylphenyl)-6-(2-hydroxyethyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione chemical structure, C20H25N3O3, CAS 5267-63-0

5-(4-tert-Butylphenyl)-6-(2-hydroxyethyl)-1,3-dimethylpyrrolo[3,4-d]pyrimidine-2,4-dione

CAS 5267-63-0C₂₀H₂₅N₃O₃

6-Butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione chemical structure, C19H23N3O2, CAS 848063-13-8

6-Butyl-1,3-dimethyl-5-(3-methylphenyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

CAS 848063-13-8C₁₉H₂₃N₃O₂

6-(2-Methoxyethyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione chemical structure, C17H19N3O3, CAS 902012-96-8

6-(2-Methoxyethyl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

CAS 902012-96-8C₁₇H₁₉N₃O₃

2-(1,3-Dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetamide chemical structure, C16H16N4O3, CAS 878424-71-6

2-(1,3-Dimethyl-2,4-dioxo-5-phenylpyrrolo[3,4-d]pyrimidin-6-yl)acetamide

CAS 878424-71-6C₁₆H₁₆N₄O₃

6-(3-Hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione chemical structure, C17H19N3O3, CAS 902334-93-4

6-(3-Hydroxypropyl)-1,3-dimethyl-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione

CAS 902334-93-4C₁₇H₁₉N₃O₃

6-(1-Hydroxybutan-2-yl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione chemical structure, C18H21N3O3, CAS 902333-58-8

6-(1-Hydroxybutan-2-yl)-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

CAS 902333-58-8C₁₈H₂₁N₃O₃

5-(2,4-Dichlorophenyl)-1,3,6-trimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione chemical structure, C15H13Cl2N3O2, CAS 727999-65-7

5-(2,4-Dichlorophenyl)-1,3,6-trimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

CAS 727999-65-7C₁₅H₁₃Cl₂N₃O₂

1,3-Dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione chemical structure, C14H13N3O2, CAS 924840-49-3

1,3-Dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

CAS 924840-49-3C₁₄H₁₃N₃O₂

6-(2,2-Dimethoxyethyl)-5-(4-fluorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione chemical structure, C18H20FN3O4, CAS 1010883-86-9

6-(2,2-Dimethoxyethyl)-5-(4-fluorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione

CAS 1010883-86-9C₁₈H₂₀FN₃O₄