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Murcko scaffold

8-Thia-4,5,6-triazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-3-one scaffold

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
14
Chemicals
8
With full pages
4
Scaffold SMILES

O=c1[nH]nnc2sc3c(c12)CCCC3

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 8-Thia-4,5,6-triazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-3-one page
Murcko scaffold O=c1[nH]nnc2sc3c(c12)CCCC3

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 8 of 8 chemicals

8-Thia-4,5,6-triazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-3-one chemical structure, C9H9N3OS, CAS 38359-86-3
8-Thia-4,5,6-triazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-3-one
CAS 38359-86-3C9H9N3OS
(4-Oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetic acid chemical structure, C11H11N3O3S, CAS 685845-75-4
(4-Oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetic acid
CAS 685845-75-4C11H11N3O3S
3-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one chemical structure, C10H11N3OS, CAS 38359-87-4
3-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
CAS 38359-87-4C10H11N3OS
7-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one chemical structure, C10H11N3OS, CAS 496038-39-2
7-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
CAS 496038-39-2C10H11N3OS
Ethyl 2-(7-methyl-4-oxo-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]1,2,3-triazi n-3-yl)acetate chemical structure, C14H17N3O3S, CAS 685550-37-2
Ethyl 2-(7-methyl-4-oxo-5,6,7,8-tetrahydrobenzo[b]thiopheno[2,3-d]1,2,3-triazi n-3-yl)acetate
CAS 685550-37-2C14H17N3O3S
3-Ethyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one chemical structure, C12H15N3OS, CAS 686326-24-9
3-Ethyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
CAS 686326-24-9C12H15N3OS
3,7-Dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one chemical structure, C11H13N3OS, CAS 686326-25-0
3,7-Dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-4(3H)-one
CAS 686326-25-0C11H13N3OS
2-(7-Methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetohydrazide chemical structure, C12H15N5O2S, CAS 785833-52-5
2-(7-Methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)acetohydrazide
CAS 785833-52-5C12H15N5O2S