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Murcko scaffold

Ring system with 3 rings and 18 atoms

8 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
18
Chemicals
8
With full pages
5
Scaffold SMILES

O=C(Cn1cncn1)Nc1cc2c(s1)CCCC2

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=C(Cn1cncn1)Nc1cc2c(s1)CCCC2

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

Ethyl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C15H17N5O5S, CAS 354155-20-7
Ethyl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 354155-20-7C15H17N5O5S
2-(2-(3-Nitro-1H-1,2,4-triazol-1-yl)acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C13H14N6O4S, CAS 333762-94-0
2-(2-(3-Nitro-1H-1,2,4-triazol-1-yl)acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 333762-94-0C13H14N6O4S
2-[2-(3-Nitro-[1,2,4]triazol-1-yl)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl ester chemical structure, C16H19N5O5S, CAS 313248-72-5
2-[2-(3-Nitro-[1,2,4]triazol-1-yl)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid isopropyl ester
CAS 313248-72-5C16H19N5O5S
6-tert-Butyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C17H22N6O4S, CAS 313248-74-7
6-tert-Butyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 313248-74-7C17H22N6O4S
Methyl 6-tert-butyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C18H23N5O5S, CAS 313248-69-0
Methyl 6-tert-butyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 313248-69-0C18H23N5O5S
Ethyl 6-methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chemical structure, C16H19N5O5S, CAS 313248-76-9
Ethyl 6-methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS 313248-76-9C16H19N5O5S
6-Methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide chemical structure, C14H16N6O4S, CAS 313397-22-7
6-Methyl-2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS 313397-22-7C14H16N6O4S
N-(6-tert-Butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide chemical structure, C17H20N6O3S, CAS 333762-95-1
N-(6-tert-Butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CAS 333762-95-1C17H20N6O3S