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Murcko scaffold

3-(1H-Indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione scaffold

7 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
21
Chemicals
7
With full pages
5
Scaffold SMILES

O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N2CCCC12

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 scaffoldOpen the 3-(1H-Indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione page
Murcko scaffold O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N2CCCC12

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 7 of 7 chemicals

Brevianamide F chemical structure, C16H17N3O2, CAS 38136-70-8
Brevianamide F
CAS 38136-70-8C16H17N3O2
Deoxybrevianamide E chemical structure, C21H25N3O2, CAS 34610-68-9
Deoxybrevianamide E
CAS 34610-68-9C21H25N3O2
3-(1H-Indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione chemical structure, C16H17N3O2, CAS 67889-75-2
3-(1H-Indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo(1,2-a)pyrazine-1,4-dione
CAS 67889-75-2C16H17N3O2
Tryprostatin B chemical structure, C21H25N3O2, CAS 179936-52-8
Tryprostatin B
CAS 179936-52-8C21H25N3O2
Tryprostatin A chemical structure, C22H27N3O3, CAS 171864-80-5
Tryprostatin A
CAS 171864-80-5C22H27N3O3
18-Oxotryprostatin A chemical structure, C22H25N3O4, CAS 1031727-30-6
18-Oxotryprostatin A
CAS 1031727-30-6C22H25N3O4
3-((1H-Indol-3-yl)methyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione trifluoroacetate chemical structure, C18H18F3N3O4, CAS 2828433-09-4
3-((1H-Indol-3-yl)methyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione trifluoroacetate
CAS 2828433-09-4C18H18F3N3O4